A0A087X8V8_POEFO Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A087X8V8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 757 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	48.9	Very low	243 Å²	243	190 Å²	190	100%	1.197	90%	0.899	S	S	*	*				0	144	0	-68.4	172.9	-179.3	0	0	108.6
2	F	39.5	Very low	50.1	Low	206 Å²	206	182.8 Å²	182.8	90%	0.904	88%	0.884	S	S	*	*			trans	-82.6	130.7	-172.3	-65.5	-86.5	0	0	0	113	K4	F2-K4 PolarHBondContact O-N 3.17Å
3	G	44.6	Very low	49.7	Very low	77 Å²	77	175.3 Å²	175.3	79%	0.794	87%	0.871	S	S	*	*			trans	-71.4	113.5	173.6	0	0	0	0	0	111.6	K5	G3-K5 PolarHBondContact O-N 3.15Å
4	K	47.8	Very low	50.6	Low	206 Å²	206	169.8 Å²	169.8	90%	0.896	85%	0.854	S	S	*	*			trans	-68.9	111.5	179.2	-63.4	-177.8	-179.2	179.7	0	110.4	F2 K6	F2-K4 PolarHBondContact O-N 3.17Å; K4-K6 PolarHBondContact O-N 3.41Å
5	K	48.5	Very low	51.6	Low	207 Å²	207	164.8 Å²	164.8	90%	0.9	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-59.2	122.8	169.5	-69.9	-178.7	179	179.7	0	109.1	G3 K7	G3-K5 PolarHBondContact O-N 3.15Å; K5-K7 PolarHBondContact O-N 3.18Å
6	K	54.4	Low	51.7	Low	210 Å²	210	163.9 Å²	163.9	91%	0.913	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-66	118	173.8	-71.7	-174.2	177.7	-178.5	0	108.9	K4	K4-K6 PolarHBondContact O-N 3.41Å
7	K	54.1	Low	51.8	Low	202 Å²	202	164.8 Å²	164.8	88%	0.878	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-68.2	130.3	175.7	-149.7	179.7	-174.7	-171.2	0	108.4	K5	K5-K7 PolarHBondContact O-N 3.18Å
8	R	50.7	Low	52.4	Low	231 Å²	231	162.8 Å²	162.8	87%	0.872	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-65.2	133.6	174.4	-172.8	175.9	-176.8	165.8	0.8	108.2	E10	R8-E10 PolarHBondContact O-N 2.92Å
9	L	50.8	Low	52.5	Low	156 Å²	156	162.3 Å²	162.3	82%	0.817	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-72.2	117.8	172	-75.3	167.2	0	0	0	108.7
10	E	52.6	Low	52.6	Low	192 Å²	192	164.3 Å²	164.3	90%	0.897	81%	0.814	S	S	*	*			trans	-86.7	109.5	167.9	-68.5	-179.9	144.9	0	0	107.6	R8	R8-E10 PolarHBondContact O-N 2.92Å
11	I	55.8	Low	53	Low	160 Å²	160	160 Å²	160	82%	0.821	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-88.2	124.1	176.1	-56	171.5	0	0	0	106.7
12	S	62.5	Low	54.4	Low	103 Å²	103	155.1 Å²	155.1	72%	0.72	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-65.2	158	176.5	52.5	0	0	0	0	111.6
13	A	45.8	Very low	56.1	Low	86 Å²	86	148.6 Å²	148.6	71%	0.711	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-60	139.9	168.7	0	0	0	0	0	109.9	S15	A13-S15 PolarHBondContact O-N 3.46Å
14	P	62.3	Low	57.1	Low	98 Å²	98	146 Å²	146	64%	0.636	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-64.5	129.4	-179.2	25.4	-34.2	0	0	0	111.6	F17	P14-F17 HydrophobicContact CB-CE2 4.28Å; P14-F17 HydrophobicContact CB-CZ 4.18Å; P14-F17 HydrophobicContact CG-CE2 4.01Å; P14-F17 HydrophobicContact CG-CZ 3.71Å; P14-F17 WeakPolarHBondContact O-CE2 3.48Å
15	S	64.5	Low	58.3	Low	95 Å²	95	140.7 Å²	140.7	66%	0.664	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-102.9	163.2	171	53.4	0	0	0	0	110.9	A13	A13-S15 PolarHBondContact O-N 3.46Å
16	N	54.1	Low	59.6	Low	151 Å²	151	133.5 Å²	133.5	81%	0.807	67%	0.67	S	S	*	*			trans	63.2	60.4	177	-54.3	-3.5	0	0	0	114.2	E18	N16-E18 PolarHBondContact O-N 3.42Å
17	F	52.3	Low	59.8	Low	179 Å²	179	127.7 Å²	127.7	79%	0.785	65%	0.654	S	S	*	*			trans	-71.4	106.6	169.5	-77.7	-86	0	0	0	111.6	P14	P14-F17 HydrophobicContact CB-CE2 4.28Å; P14-F17 HydrophobicContact CB-CZ 4.18Å; P14-F17 HydrophobicContact CG-CE2 4.01Å; P14-F17 HydrophobicContact CG-CZ 3.71Å; P14-F17 WeakPolarHBondContact O-CE2 3.48Å
18	E	63.4	Low	60.5	Low	129 Å²	129	129.2 Å²	129.2	60%	0.603	65%	0.654	S	S	*	*			trans	-92.8	125.1	167.6	-69.5	-178.7	164.1	0	0	111.1	N16 R20	N16-E18 PolarHBondContact O-N 3.42Å; E18-R20 VanDerWaalsContact C-N 3.3Å; E18-R20 HydrophobicContact CB-CG 3.86Å; E18-R20 PolarHBondContact O-N 3.13Å; E18-R20 IonicContact OE2-CZ 2.72Å; E18-R20 IonicContact OE2-NE 2.73Å; E18-R20 PolarHBondContact OE2-NE 3.15Å; E18-R20 IonicContact OE2-NH2 3.43Å; E18-R20 PolarHBondContact OE2-NH2 3.44Å
19	H	54.4	Low	61.5	Low	152 Å²	152	123.9 Å²	123.9	70%	0.704	64%	0.639	S	S	*	*			trans	-79.3	78.5	173.2	-179.9	-104.1	0	0	0	110.4	H22	H19-H22 AromaticContact CE1-ND1 3.66Å; H19-H22 AromaticContact NE2-ND1 3.93Å
20	R	54.2	Low	62.4	Low	203 Å²	203	122.9 Å²	122.9	77%	0.766	63%	0.63	S	S	*	*			trans	-77.3	-17.7	-171.1	-68.7	-177.2	173.7	-174.4	-3.2	115.7	E18	E18-R20 VanDerWaalsContact C-N 3.3Å; E18-R20 HydrophobicContact CB-CG 3.86Å; E18-R20 PolarHBondContact O-N 3.13Å; E18-R20 IonicContact OE2-CZ 2.72Å; E18-R20 IonicContact OE2-NE 2.73Å; E18-R20 PolarHBondContact OE2-NE 3.15Å; E18-R20 IonicContact OE2-NH2 3.43Å; E18-R20 PolarHBondContact OE2-NH2 3.44Å
21	V	61.8	Low	63.2	Low	74 Å²	74	119.4 Å²	119.4	45%	0.448	61%	0.612	S	S	.	*			trans	-141.8	131.7	-176.1	-176.6	0	0	0	0	109.1	G34 P36	V21-G34 WeakPolarHBondContact CG1-O 3.31Å; V21-P36 HydrophobicContact CG1-CG 4.24Å
22	H	67.4	Low	64.1	Low	141 Å²	141	117 Å²	117	65%	0.653	60%	0.595	S	S	*	*			trans	-120.8	118.5	172.1	-172.7	65.5	0	0	0	109.2	H19	H19-H22 AromaticContact CE1-ND1 3.66Å; H19-H22 AromaticContact NE2-ND1 3.93Å
23	T	76.6	Confident	64.7	Low	68 Å²	68	115.5 Å²	115.5	42%	0.417	58%	0.582	S	S	.	*			trans	-105.6	121.4	-176.2	-45.9	0	0	0	0	110.4	T33 L35	T23-T33 CarbonylContact C-O 3.52Å; T23-T33 WeakPolarHBondContact CA-O 3.32Å; T23-L35 HydrophobicContact CG2-CD2 3.62Å; T23-L35 HydrophobicContact CG2-CG 3.77Å
24	G	65.4	Low	65.9	Low	23 Å²	23	113.6 Å²	113.6	24%	0.237	57%	0.571	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.9	173.9	174.2	0	0	0	0	0	112.5	F32 T33	G24-F32 CarbonylContact O-C 3.54Å; G24-F32 VanDerWaalsContact O-CA 3.26Å; G24-F32 WeakPolarHBondContact O-CA 3.25Å; G24-T33 PolarHBondContact N-O 3.48Å; G24-T33 PolarHBondContact O-N 3.32Å
25	F	72.7	Confident	66.5	Low	94 Å²	94	110.1 Å²	110.1	41%	0.412	55%	0.547	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.8	164.5	179.8	-101.3	0	0	0	108.1	P27 Q30 F32	F25-P27 HydrophobicContact CE1-CB 4.32Å; F25-P27 WeakPolarHBondContact O-CD 3.31Å; F25-Q30 HydrophobicContact CZ-CB 4.44Å; F25-F32 HydrophobicContact CB-CD1 3.99Å; F25-F32 HydrophobicContact CB-CE1 4.01Å; F25-F32 AromaticContact CD2-CD1 3.85Å; F25-F32 HydrophobicContact CD2-CD1 3.85Å; F25-F32 AromaticContact CD2-CD2 3.98Å; F25-F32 HydrophobicContact CD2-CD2 3.98Å; F25-F32 AromaticContact CD2-CE1 3.75Å; F25-F32 HydrophobicContact CD2-CE1 3.75Å; F25-F32 AromaticContact CD2-CE2 3.89Å; F25-F32 HydrophobicContact CD2-CE2 3.89Å; F25-F32 AromaticContact CD2-CG 3.97Å; F25-F32 HydrophobicContact CD2-CG 3.97Å; F25-F32 AromaticContact CD2-CZ 3.77Å; F25-F32 HydrophobicContact CD2-CZ 3.77Å; F25-F32 HydrophobicContact CE2-CD2 4.39Å; F25-F32 HydrophobicContact CE2-CE2 4.14Å; F25-F32 HydrophobicContact CE2-CZ 4.29Å; F25-F32 HydrophobicContact CG-CD1 4.41Å; F25-F32 HydrophobicContact CG-CE1 4.24Å
26	D	75.7	Confident	66.9	Low	56 Å²	56	108 Å²	108	30%	0.299	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	111.9	173.5	-169.2	-48.4	0	0	0	109.1	R28 E29 Q30 K31 T33	D26-R28 VanDerWaalsContact C-N 3.26Å; D26-R28 PolarHBondContact O-N 3.43Å; D26-R28 WeakPolarHBondContact OD1-CA 3.45Å; D26-R28 VanDerWaalsContact OD1-CB 3.25Å; D26-R28 WeakPolarHBondContact OD1-CB 3.21Å; D26-R28 PolarHBondContact OD1-N 3.44Å; D26-E29 HydrophobicContact CB-CB 4.46Å; D26-E29 PolarHBondContact OD1-N 3.21Å; D26-E29 VanDerWaalsContact OD1-N 3.11Å; D26-Q30 VanDerWaalsContact O-CA 3.32Å; D26-Q30 WeakPolarHBondContact O-CA 3.14Å; D26-Q30 PolarHBondContact O-N 3.31Å; D26-K31 PolarHBondContact N-O 3.11Å; D26-K31 PolarHBondContact O-N 3.33Å; D26-T33 HydrophobicContact CB-CG2 4.18Å
27	P	58.9	Low	67.4	Low	89 Å²	89	108.9 Å²	108.9	58%	0.578	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.8	-178.8	32.5	-36.3	0	0	0	113.5	F25 Q30	F25-P27 HydrophobicContact CE1-CB 4.32Å; F25-P27 WeakPolarHBondContact O-CD 3.31Å; P27-Q30 PolarHBondContact O-NE2 3.39Å
28	R	67.7	Low	67.9	Low	233 Å²	233	107.9 Å²	107.9	88%	0.879	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-41.9	175	-57.7	-179.5	173.2	-165.9	-2.3	111.1	D26	D26-R28 VanDerWaalsContact C-N 3.26Å; D26-R28 PolarHBondContact O-N 3.43Å; D26-R28 WeakPolarHBondContact OD1-CA 3.45Å; D26-R28 VanDerWaalsContact OD1-CB 3.25Å; D26-R28 WeakPolarHBondContact OD1-CB 3.21Å; D26-R28 PolarHBondContact OD1-N 3.44Å
29	E	73.1	Confident	67.7	Low	120 Å²	120	109.2 Å²	109.2	56%	0.561	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-10.9	174.9	-75.3	-149.2	-157.6	0	0	114.4	D26 K31	D26-E29 HydrophobicContact CB-CB 4.46Å; D26-E29 PolarHBondContact OD1-N 3.21Å; D26-E29 VanDerWaalsContact OD1-N 3.11Å; E29-K31 VanDerWaalsContact C-N 3.27Å; E29-K31 HydrophobicContact CB-CB 4.46Å; E29-K31 HydrophobicContact CB-CD 4.3Å; E29-K31 HydrophobicContact CB-CG 4.49Å; E29-K31 PolarHBondContact O-N 3.29Å; E29-K31 IonicContact OE2-NZ 2.64Å; E29-K31 PolarHBondContact OE2-NZ 3.36Å
30	Q	68.5	Low	68.4	Low	134 Å²	134	106.9 Å²	106.9	63%	0.626	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	38.1	-174.8	-65	-72.3	-54.5	0	0	112.9	F25 D26 P27	F25-Q30 HydrophobicContact CZ-CB 4.44Å; D26-Q30 VanDerWaalsContact O-CA 3.32Å; D26-Q30 WeakPolarHBondContact O-CA 3.14Å; D26-Q30 PolarHBondContact O-N 3.31Å; P27-Q30 PolarHBondContact O-NE2 3.39Å
31	K	71.1	Confident	68.5	Low	120 Å²	120	100.4 Å²	100.4	52%	0.522	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	150.8	-176.3	-70.5	171	-160	159.6	0	111.8	D26 E29	D26-K31 PolarHBondContact N-O 3.11Å; D26-K31 PolarHBondContact O-N 3.33Å; E29-K31 VanDerWaalsContact C-N 3.27Å; E29-K31 HydrophobicContact CB-CB 4.46Å; E29-K31 HydrophobicContact CB-CD 4.3Å; E29-K31 HydrophobicContact CB-CG 4.49Å; E29-K31 PolarHBondContact O-N 3.29Å; E29-K31 IonicContact OE2-NZ 2.64Å; E29-K31 PolarHBondContact OE2-NZ 3.36Å
32	F	73.2	Confident	68.4	Low	108 Å²	108	102.4 Å²	102.4	47%	0.474	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	128.6	169.6	-67.2	-86.1	0	0	0	110.8	G24 F25 L35 L43	G24-F32 CarbonylContact O-C 3.54Å; G24-F32 VanDerWaalsContact O-CA 3.26Å; G24-F32 WeakPolarHBondContact O-CA 3.25Å; F25-F32 HydrophobicContact CB-CD1 3.99Å; F25-F32 HydrophobicContact CB-CE1 4.01Å; F25-F32 AromaticContact CD2-CD1 3.85Å; F25-F32 HydrophobicContact CD2-CD1 3.85Å; F25-F32 AromaticContact CD2-CD2 3.98Å; F25-F32 HydrophobicContact CD2-CD2 3.98Å; F25-F32 AromaticContact CD2-CE1 3.75Å; F25-F32 HydrophobicContact CD2-CE1 3.75Å; F25-F32 AromaticContact CD2-CE2 3.89Å; F25-F32 HydrophobicContact CD2-CE2 3.89Å; F25-F32 AromaticContact CD2-CG 3.97Å; F25-F32 HydrophobicContact CD2-CG 3.97Å; F25-F32 AromaticContact CD2-CZ 3.77Å; F25-F32 HydrophobicContact CD2-CZ 3.77Å; F25-F32 HydrophobicContact CE2-CD2 4.39Å; F25-F32 HydrophobicContact CE2-CE2 4.14Å; F25-F32 HydrophobicContact CE2-CZ 4.29Å; F25-F32 HydrophobicContact CG-CD1 4.41Å; F25-F32 HydrophobicContact CG-CE1 4.24Å; F32-L35 HydrophobicContact CB-CD1 3.45Å; F32-L35 VanDerWaalsContact CB-CD1 3.45Å; F32-L35 HydrophobicContact CB-CG 3.85Å; F32-L35 HydrophobicContact CG-CD1 4.2Å; F32-L43 HydrophobicContact CD2-CD1 3.81Å; F32-L43 HydrophobicContact CE2-CD1 4.37Å; F32-L43 HydrophobicContact CG-CD1 4.45Å
33	T	75.6	Confident	68.1	Low	72 Å²	72	99.5 Å²	99.5	44%	0.442	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	147.6	178.6	54.3	0	0	0	0	109.9	T23 G24 D26 L35	T23-T33 CarbonylContact C-O 3.52Å; T23-T33 WeakPolarHBondContact CA-O 3.32Å; G24-T33 PolarHBondContact N-O 3.48Å; G24-T33 PolarHBondContact O-N 3.32Å; D26-T33 HydrophobicContact CB-CG2 4.18Å; T33-L35 VanDerWaalsContact C-N 3.26Å; T33-L35 PolarHBondContact O-N 2.98Å
34	G	70.5	Confident	67.2	Low	46 Å²	46	99 Å²	99	47%	0.474	50%	0.501	S	S	.	.	S	Bend	trans	73.2	5.8	180	0	0	0	0	0	116.2	V21	V21-G34 WeakPolarHBondContact CG1-O 3.31Å
35	L	74.8	Confident	66.6	Low	26 Å²	26	104 Å²	104	14%	0.136	52%	0.523	C	S	.	.			trans	-61.6	137.5	172.8	-85.3	176.4	0	0	0	112.1	T23 F32 T33 W39 Q40 L43	T23-L35 HydrophobicContact CG2-CD2 3.62Å; T23-L35 HydrophobicContact CG2-CG 3.77Å; F32-L35 HydrophobicContact CB-CD1 3.45Å; F32-L35 VanDerWaalsContact CB-CD1 3.45Å; F32-L35 HydrophobicContact CB-CG 3.85Å; F32-L35 HydrophobicContact CG-CD1 4.2Å; T33-L35 VanDerWaalsContact C-N 3.26Å; T33-L35 PolarHBondContact O-N 2.98Å; L35-W39 HydrophobicContact CD2-CB 4.16Å; L35-Q40 HydrophobicContact CB-CG 3.89Å; L35-Q40 HydrophobicContact CD1-CG 4.42Å; L35-Q40 PolarHBondContact O-NE2 2.94Å; L35-L43 HydrophobicContact CD1-CD1 3.38Å
36	P	74	Confident	65.8	Low	49 Å²	49	104.1 Å²	104.1	32%	0.318	53%	0.532	S	S	.	.			trans	-55.4	140.5	165.9	-23	33.8	0	0	0	111.3	V21 Q38 W39	V21-P36 HydrophobicContact CG1-CG 4.24Å; P36-Q38 PolarHBondContact O-N 2.8Å; P36-W39 WeakPolarHBondContact O-CB 3.38Å; P36-W39 PolarHBondContact O-N 3.37Å
37	Q	63.9	Low	64.7	Low	170 Å²	170	105.3 Å²	105.3	79%	0.794	55%	0.549	S	S	*	.	H	α-helix	trans	-57.9	-29.7	-172.6	-165.4	172.8	6	0	0	113.6	W39 Q40	Q37-W39 PolarHBondContact O-N 2.69Å; Q37-Q40 PolarHBondContact O-N 2.64Å
38	Q	63	Low	64.2	Low	159 Å²	159	108.1 Å²	108.1	74%	0.743	56%	0.559	S	S	*	*	H	α-helix	trans	-65.3	-20	175.2	-64.3	171.1	-6.7	0	0	114.2	P36 S41	P36-Q38 PolarHBondContact O-N 2.8Å; Q38-S41 PolarHBondContact O-OG 2.8Å
39	W	60.1	Low	63.3	Low	157 Å²	157	107 Å²	107	60%	0.595	56%	0.555	S	S	*	*	H	α-helix	trans	-98.8	-17.8	-177	-69.7	52.5	0	0	0	112.4	L35 P36 Q37 S41	L35-W39 HydrophobicContact CD2-CB 4.16Å; P36-W39 WeakPolarHBondContact O-CB 3.38Å; P36-W39 PolarHBondContact O-N 3.37Å; Q37-W39 PolarHBondContact O-N 2.69Å; W39-S41 VanDerWaalsContact C-N 3.35Å
40	Q	67.4	Low	61.8	Low	102 Å²	102	106.9 Å²	106.9	48%	0.477	57%	0.565	S	S	.	*	H	α-helix	trans	-70.8	-31.2	-178.4	-62.5	178.7	7.7	0	0	112.1	L35 Q37 A44	L35-Q40 HydrophobicContact CB-CG 3.89Å; L35-Q40 HydrophobicContact CD1-CG 4.42Å; L35-Q40 PolarHBondContact O-NE2 2.94Å; Q37-Q40 PolarHBondContact O-N 2.64Å; Q40-A44 PolarHBondContact O-N 3.39Å
41	S	57.9	Low	60.8	Low	67 Å²	67	109.9 Å²	109.9	47%	0.469	58%	0.576	S	S	.	*	H	α-helix	trans	-63.1	-46.2	174.8	45.6	0	0	0	0	112.7	Q38 W39 L43 A44	Q38-S41 PolarHBondContact O-OG 2.8Å; W39-S41 VanDerWaalsContact C-N 3.35Å; S41-L43 PolarHBondContact O-N 2.68Å; S41-A44 WeakPolarHBondContact O-CB 3.32Å; S41-A44 PolarHBondContact O-N 3.2Å
42	L	58.1	Low	59.4	Low	117 Å²	117	109.6 Å²	109.6	61%	0.613	59%	0.586	S	S	*	*	H	α-helix	trans	-61.5	-30.1	-177.9	-63.6	172.7	0	0	0	113.2	T46	L42-T46 PolarHBondContact O-OG1 3.43Å
43	L	62.3	Low	57.6	Low	80 Å²	80	113.7 Å²	113.7	42%	0.419	61%	0.609	S	S	.	*	H	α-helix	trans	-79.5	-27.4	177	-67.4	173.8	0	0	0	112.8	F32 L35 S41 T46 A47	F32-L43 HydrophobicContact CD2-CD1 3.81Å; F32-L43 HydrophobicContact CE2-CD1 4.37Å; F32-L43 HydrophobicContact CG-CD1 4.45Å; L35-L43 HydrophobicContact CD1-CD1 3.38Å; S41-L43 PolarHBondContact O-N 2.68Å; L43-T46 PolarHBondContact O-N 3.47Å; L43-A47 PolarHBondContact O-N 2.86Å
44	A	57.6	Low	56.1	Low	56 Å²	56	115.3 Å²	115.3	46%	0.463	62%	0.619	S	S	.	*	H	α-helix	trans	-65.8	-44.7	178.4	0	0	0	0	0	111.8	Q40 S41 T46 A47	Q40-A44 PolarHBondContact O-N 3.39Å; S41-A44 WeakPolarHBondContact O-CB 3.32Å; S41-A44 PolarHBondContact O-N 3.2Å; A44-T46 PolarHBondContact O-N 3.13Å; A44-A47 WeakPolarHBondContact O-CB 3.47Å; A44-A47 PolarHBondContact O-N 3.48Å; A44-A47 VanDerWaalsContact O-N 3.16Å
45	D	53.4	Low	54.6	Low	128 Å²	128	117.4 Å²	117.4	68%	0.684	62%	0.619	S	S	*	*	H	α-helix	trans	-62.2	-29.4	177.4	-71.6	-24.2	0	0	0	112.7	A47	D45-A47 VanDerWaalsContact C-N 3.33Å; D45-A47 PolarHBondContact O-N 2.99Å
46	T	54.7	Low	53.3	Low	98 Å²	98	121.2 Å²	121.2	60%	0.601	65%	0.645	S	S	*	*	H	α-helix	trans	-72.2	-27.2	179.9	-55.3	0	0	0	0	112.2	L42 L43 A44 N48	L42-T46 PolarHBondContact O-OG1 3.43Å; L43-T46 PolarHBondContact O-N 3.47Å; A44-T46 PolarHBondContact O-N 3.13Å; T46-N48 VanDerWaalsContact C-N 3.34Å; T46-N48 PolarHBondContact O-N 2.9Å
47	A	52.6	Low	51.9	Low	81 Å²	81	123 Å²	123	67%	0.669	66%	0.659	S	S	*	*	H	α-helix	trans	-71.8	-23.3	-175.6	0	0	0	0	0	114.2	L43 A44 D45 R49	L43-A47 PolarHBondContact O-N 2.86Å; A44-A47 WeakPolarHBondContact O-CB 3.47Å; A44-A47 PolarHBondContact O-N 3.48Å; A44-A47 VanDerWaalsContact O-N 3.16Å; D45-A47 VanDerWaalsContact C-N 3.33Å; D45-A47 PolarHBondContact O-N 2.99Å; A47-R49 VanDerWaalsContact C-N 3.33Å
48	N	48.3	Very low	51.1	Low	147 Å²	147	124.3 Å²	124.3	79%	0.786	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	0.9	-178.2	-71.7	-33.3	0	0	0	114.1	T46	T46-N48 VanDerWaalsContact C-N 3.34Å; T46-N48 PolarHBondContact O-N 2.9Å
49	R	49.9	Very low	50.4	Low	209 Å²	209	122.5 Å²	122.5	79%	0.789	65%	0.652	S	S	*	*	S	Bend	trans	-83.3	125	179.7	-146	176	-160.5	-143	3.5	110.1	A47 K51	A47-R49 VanDerWaalsContact C-N 3.33Å; R49-K51 PolarHBondContact O-N 3.33Å
50	P	41.4	Very low	49.2	Very low	118 Å²	118	121 Å²	121	77%	0.766	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-61.7	131.7	179.6	24.7	-33.4	0	0	0	110.5
51	K	47.8	Very low	47.8	Very low	197 Å²	197	122 Å²	122	86%	0.857	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-69	137.4	176.7	-64.4	178.4	-178.7	177.3	0	109.2	R49 M53	R49-K51 PolarHBondContact O-N 3.33Å; K51-M53 PolarHBondContact O-N 3.41Å
52	P	41.9	Very low	46.8	Very low	114 Å²	114	126.1 Å²	126.1	74%	0.74	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-61.5	135.5	172.3	26.9	-33.6	0	0	0	109.6	V54	P52-V54 PolarHBondContact O-N 2.95Å
53	M	35.3	Very low	45.6	Very low	195 Å²	195	129.7 Å²	129.7	96%	0.961	71%	0.705	S	S	*	*			trans	-73.8	110.5	178	-172.8	174.1	68.8	0	0	109.2	K51	K51-M53 PolarHBondContact O-N 3.41Å
54	V	43.2	Very low	44.4	Very low	105 Å²	105	133.7 Å²	133.7	64%	0.636	73%	0.726	S	S	*	*			trans	-105.4	123.9	176.2	-179.7	0	0	0	0	108.4	P52 P56	P52-V54 PolarHBondContact O-N 2.95Å; V54-P56 WeakPolarHBondContact O-CD 3.26Å
55	D	39.5	Very low	43.2	Very low	90 Å²	90	135.2 Å²	135.2	48%	0.481	74%	0.738	S	S	.	*			trans	-70.7	122.8	176.2	-172.4	-35.7	0	0	0	110.3	S57 Y58	D55-S57 PolarHBondContact O-N 3.22Å; D55-S57 VanDerWaalsContact O-N 3.15Å; D55-S57 VanDerWaalsContact OD1-CB 3.28Å; D55-S57 WeakPolarHBondContact OD1-CB 3.47Å; D55-S57 PolarHBondContact OD1-N 3.41Å; D55-S57 PolarHBondContact OD1-OG 3.17Å; D55-S57 PolarHBondContact OD2-OG 3.01Å; D55-Y58 HydrophobicContact CB-CD2 4.2Å; D55-Y58 PolarHBondContact O-N 3.04Å
56	P	46.8	Very low	42.3	Very low	106 Å²	106	135 Å²	135	69%	0.688	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-60.8	-19.8	179.7	-24.5	35.1	0	0	0	115.1	V54 Y58 I59	V54-P56 WeakPolarHBondContact O-CD 3.26Å; P56-Y58 PolarHBondContact O-N 2.69Å; P56-I59 PolarHBondContact O-N 3.33Å
57	S	45.8	Very low	41.2	Very low	88 Å²	88	139.1 Å²	139.1	62%	0.615	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-68.5	-16.3	-176.8	61.8	0	0	0	0	114.6	D55	D55-S57 PolarHBondContact O-N 3.22Å; D55-S57 VanDerWaalsContact O-N 3.15Å; D55-S57 VanDerWaalsContact OD1-CB 3.28Å; D55-S57 WeakPolarHBondContact OD1-CB 3.47Å; D55-S57 PolarHBondContact OD1-N 3.41Å; D55-S57 PolarHBondContact OD1-OG 3.17Å; D55-S57 PolarHBondContact OD2-OG 3.01Å
58	Y	46	Very low	40.3	Very low	197 Å²	197	145 Å²	145	77%	0.773	77%	0.769	S	S	*	*	G	3₁₀ helix	trans	-96.5	9.2	-179.5	-71.6	-88.4	0	0	0	114.5	D55 P56	D55-Y58 HydrophobicContact CB-CD2 4.2Å; D55-Y58 PolarHBondContact O-N 3.04Å; P56-Y58 PolarHBondContact O-N 2.69Å
59	I	48.2	Very low	39.8	Very low	120 Å²	120	146.1 Å²	146.1	62%	0.615	77%	0.773	S	S	*	*			trans	-99	107	177.5	-55.9	178.8	0	0	0	109.7	P56 P61	P56-I59 PolarHBondContact O-N 3.33Å; I59-P61 WeakPolarHBondContact O-CD 3.3Å
60	T	36	Very low	38.7	Very low	127 Å²	127	141.1 Å²	141.1	78%	0.779	77%	0.77	S	S	*	*			trans	-62.9	122.8	171.2	22.1	0	0	0	0	110.5	I62	T60-I62 PolarHBondContact O-N 3.02Å
61	P	37	Very low	38.5	Very low	121 Å²	121	141.6 Å²	141.6	79%	0.786	77%	0.774	S	S	*	*			trans	-74.7	115.8	-175.3	28.2	-33.7	0	0	0	111.4	I59 Q63	I59-P61 WeakPolarHBondContact O-CD 3.3Å; P61-Q63 PolarHBondContact O-N 3.36Å
62	I	36	Very low	37.7	Very low	155 Å²	155	140.8 Å²	140.8	80%	0.795	77%	0.773	S	S	*	*			trans	-71.8	123.4	169.2	-63.5	175.3	0	0	0	108.6	T60 L64	T60-I62 PolarHBondContact O-N 3.02Å; I62-L64 PolarHBondContact O-N 3.42Å; I62-L64 VanDerWaalsContact O-N 3.09Å
63	Q	33.8	Very low	37.1	Very low	192 Å²	192	145.6 Å²	145.6	90%	0.897	78%	0.782	S	S	*	*			trans	-77.3	96.6	-172.5	-163.8	171.5	24.8	0	0	111.6	P61 A65	P61-Q63 PolarHBondContact O-N 3.36Å; Q63-A65 PolarHBondContact O-N 2.81Å
64	L	37.1	Very low	36.9	Very low	163 Å²	163	142 Å²	142	85%	0.853	77%	0.77	S	S	*	*			trans	-73.9	111	177.3	-69.7	171.4	0	0	0	111.4	I62	I62-L64 PolarHBondContact O-N 3.42Å; I62-L64 VanDerWaalsContact O-N 3.09Å
65	A	32.3	Very low	36.2	Very low	88 Å²	88	147.8 Å²	147.8	73%	0.727	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-72.7	145.5	170.9	0	0	0	0	0	111.5	Q63	Q63-A65 PolarHBondContact O-N 2.81Å
66	P	35	Very low	35.6	Very low	124 Å²	124	148 Å²	148	81%	0.805	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-76.4	129.8	-169.4	29	-35.2	0	0	0	113.5	K68	P66-K68 PolarHBondContact O-N 3.12Å
67	M	31.6	Very low	34.7	Very low	184 Å²	184	147.7 Å²	147.7	91%	0.906	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-69	121.2	169.5	-69.8	178.7	67	0	0	110.7
68	K	32.5	Very low	33.9	Very low	205 Å²	205	152 Å²	152	89%	0.891	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-75.4	133.6	168.7	-77.3	-175.5	175.3	178.6	0	110.7	P66	P66-K68 PolarHBondContact O-N 3.12Å
69	I	38.3	Very low	33.1	Very low	170 Å²	170	149 Å²	149	87%	0.872	80%	0.802	S	S	*	*			trans	-106.7	124.6	167	-60.5	173	0	0	0	107.8
70	S	28.3	Very low	32.7	Very low	104 Å²	104	148.1 Å²	148.1	73%	0.727	81%	0.805	S	S	*	*			trans	-154	156.4	164.7	53.9	0	0	0	0	110.2
71	P	35.7	Very low	32.4	Very low	129 Å²	129	149.8 Å²	149.8	84%	0.838	81%	0.808	S	S	*	*			trans	-97.1	176.5	-148	37.2	-37.9	0	0	0	116.7
72	Q	31.6	Very low	32.2	Very low	180 Å²	180	149.6 Å²	149.6	84%	0.841	81%	0.807	S	S	*	*			trans	-49.3	151.1	-179.3	-60.2	166.4	-40.2	0	0	115.5
73	K	28.5	Very low	31.9	Very low	215 Å²	215	151.6 Å²	151.6	94%	0.935	81%	0.81	S	S	*	*			trans	-137.3	136.9	144.7	-160.1	170.6	-174.1	177	0	109.5
74	V	31.6	Very low	31.7	Very low	118 Å²	118	148.6 Å²	148.6	72%	0.715	81%	0.805	S	S	*	*			trans	-115	131.1	-168.4	175.8	0	0	0	0	111.2
75	R	27.6	Very low	31.3	Very low	228 Å²	228	148.5 Å²	148.5	86%	0.86	80%	0.803	S	S	*	*			trans	-179.4	125.3	147	-103.9	-177.1	176.7	-176.1	-3	108.5
76	S	27.9	Very low	31.1	Very low	94 Å²	94	150.5 Å²	150.5	66%	0.657	81%	0.806	S	S	*	*				57.1	129.7	93.9	78.1	0	0	0	0	113.9
77	S	28.7	Very low	30.7	Very low	99 Å²	99	155.9 Å²	155.9	69%	0.692	81%	0.81	S	S	*	*			cis	-166.3	-171.8	6.7	31.6	0	0	0	0	111.4
78	E	28.4	Very low	30.5	Very low	180 Å²	180	150.3 Å²	150.3	84%	0.841	80%	0.8	S	S	*	*			trans	89.8	162.3	161.8	-55.1	-174.2	174.5	0	0	119.3
79	T	29.4	Very low	30.5	Very low	132 Å²	132	148.3 Å²	148.3	81%	0.81	80%	0.799	S	S	*	*			trans	-155.9	173.8	-151.3	47	0	0	0	0	110
80	P	39.5	Very low	30.1	Very low	103 Å²	103	150.5 Å²	150.5	67%	0.669	80%	0.796	S	S	*	*			cis	-134.6	-179.6	-43.4	38.8	-23.5	0	0	0	113.4
81	L	30.1	Very low	30.2	Very low	161 Å²	161	150.6 Å²	150.6	84%	0.843	79%	0.794	S	S	*	*			trans	71.2	161	165	-58.6	178.7	0	0	0	117.3
82	P	31.9	Very low	30.3	Very low	118 Å²	118	150.6 Å²	150.6	77%	0.766	79%	0.794	S	S	*	*			cis	-101.5	155.7	-7.6	37.9	-30.7	0	0	0	113.3
83	K	30.1	Very low	30.6	Very low	197 Å²	197	148.5 Å²	148.5	86%	0.857	78%	0.782	S	S	*	*			trans	-112.4	114.1	168.2	-75.8	-170.5	176.4	-178.1	0	110.6	I85	K83-I85 PolarHBondContact O-N 3.38Å
84	T	30.1	Very low	30.9	Very low	129 Å²	129	144.8 Å²	144.8	79%	0.791	77%	0.773	S	S	*	*			trans	-60.1	127.8	175.6	-46.8	0	0	0	0	110.7	V86	T84-V86 PolarHBondContact O-N 3.39Å
85	I	28	Very low	31.6	Very low	160 Å²	160	143.6 Å²	143.6	82%	0.821	78%	0.776	S	S	*	*			trans	-77.1	90.1	179.3	-58.2	176.1	0	0	0	109.2	K83 R87	K83-I85 PolarHBondContact O-N 3.38Å; I85-R87 PolarHBondContact O-N 3Å
86	V	28.5	Very low	32.5	Very low	130 Å²	130	135.6 Å²	135.6	79%	0.788	76%	0.755	S	S	*	*			trans	-71.9	121.6	165.2	178.9	0	0	0	0	108.2	T84 G88	T84-V86 PolarHBondContact O-N 3.39Å; V86-G88 PolarHBondContact O-N 2.82Å
87	R	27.1	Very low	33.5	Very low	238 Å²	238	134.9 Å²	134.9	90%	0.898	74%	0.743	S	S	*	*			trans	-77	83.2	-170.5	-161.2	179.3	-160.7	168.3	5.8	111.1	I85	I85-R87 PolarHBondContact O-N 3Å
88	G	27.5	Very low	34.5	Very low	66 Å²	66	134.9 Å²	134.9	68%	0.68	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-55.4	152.7	-178.1	0	0	0	0	0	114.7	V86	V86-G88 PolarHBondContact O-N 2.82Å
89	N	31.6	Very low	35.6	Very low	163 Å²	163	127.2 Å²	127.2	87%	0.872	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-53.8	153.6	-169.1	-69.2	-25.5	0	0	0	115.3
90	R	30.2	Very low	36.7	Very low	217 Å²	217	124.7 Å²	124.7	82%	0.819	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-54.9	144.4	162.3	-63.2	172.6	178.1	161.6	-2.2	109.5
91	P	31.1	Very low	37.4	Very low	105 Å²	105	120.3 Å²	120.3	68%	0.682	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-61.5	161	169.1	29	-35.4	0	0	0	110.6	K93	P91-K93 PolarHBondContact O-N 2.75Å; P91-K93 VanDerWaalsContact O-N 3.16Å
92	P	36.3	Very low	38.3	Very low	130 Å²	130	119.4 Å²	119.4	84%	0.844	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-56.6	121.8	174.7	-20.8	32.5	0	0	0	109.9
93	K	37.5	Very low	39.2	Very low	136 Å²	136	117.3 Å²	117.3	59%	0.591	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-67.6	148.5	168.7	-75.4	179.2	168.2	-173	0	109.3	P91 A95 E103	P91-K93 PolarHBondContact O-N 2.75Å; P91-K93 VanDerWaalsContact O-N 3.16Å; K93-A95 PolarHBondContact O-N 2.73Å; K93-E103 IonicContact NZ-OE1 3.12Å
94	D	35.9	Very low	40.1	Very low	136 Å²	136	108.8 Å²	108.8	73%	0.727	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-54.3	133.2	178.5	-59	-75.9	0	0	0	111.9	S96	D94-S96 PolarHBondContact O-N 2.65Å
95	A	45.3	Very low	40.6	Very low	94 Å²	94	109.3 Å²	109.3	78%	0.777	59%	0.588	S	S	*	*			trans	-70.3	28.4	176.1	0	0	0	0	0	113.5	K93	K93-A95 PolarHBondContact O-N 2.73Å
96	S	47.7	Very low	41.1	Very low	60 Å²	60	108.3 Å²	108.3	42%	0.42	58%	0.584	S	S	.	*			trans	-67.7	133.3	171.6	77.5	0	0	0	0	109.6	D94 N98 G99 L100	D94-S96 PolarHBondContact O-N 2.65Å; S96-N98 PolarHBondContact O-N 3.39Å; S96-N98 VanDerWaalsContact O-N 3.11Å; S96-G99 PolarHBondContact O-N 2.99Å; S96-G99 PolarHBondContact OG-N 3.38Å; S96-L100 PolarHBondContact O-N 3.24Å
97	I	49.1	Very low	41.7	Very low	79 Å²	79	106 Å²	106	41%	0.405	57%	0.567	S	S	.	*	H	α-helix	trans	-66	-19.2	-176.8	-43.8	179.9	0	0	0	111	L101	I97-L101 WeakPolarHBondContact O-CG 3.39Å; I97-L101 PolarHBondContact O-N 2.88Å; I97-L101 VanDerWaalsContact O-N 3.11Å
98	N	49.4	Very low	42.1	Very low	98 Å²	98	98.6 Å²	98.6	52%	0.524	55%	0.551	S	S	.	*	H	α-helix	trans	-68.5	-46.8	171.9	-66.2	-18	0	0	0	111.6	S96 L100 L101 E102	S96-N98 PolarHBondContact O-N 3.39Å; S96-N98 VanDerWaalsContact O-N 3.11Å; N98-L100 VanDerWaalsContact C-N 3.3Å; N98-L100 PolarHBondContact O-N 2.82Å; N98-L101 PolarHBondContact O-N 2.74Å; N98-L101 VanDerWaalsContact O-N 3.08Å; N98-E102 PolarHBondContact O-N 3.28Å
99	G	50.9	Low	42.5	Very low	19 Å²	19	97.9 Å²	97.9	20%	0.196	53%	0.534	C	S	.	.	H	α-helix	trans	-61.7	-36.4	174.7	0	0	0	0	0	113	S96 L101 E102 E103	S96-G99 PolarHBondContact O-N 2.99Å; S96-G99 PolarHBondContact OG-N 3.38Å; G99-L101 VanDerWaalsContact C-N 3.29Å; G99-L101 PolarHBondContact O-N 2.87Å; G99-E102 PolarHBondContact O-N 3.24Å; G99-E103 PolarHBondContact O-N 2.84Å
100	L	52.3	Low	42.8	Very low	79 Å²	79	92.8 Å²	92.8	41%	0.414	51%	0.509	S	S	.	.	H	α-helix	trans	-72.8	-18.1	175.6	-65	173.3	0	0	0	113.9	S96 N98	S96-L100 PolarHBondContact O-N 3.24Å; N98-L100 VanDerWaalsContact C-N 3.3Å; N98-L100 PolarHBondContact O-N 2.82Å
101	L	54.3	Low	42.8	Very low	12 Å²	12	91.9 Å²	91.9	6%	0.063	51%	0.505	C	S	.	.	H	α-helix	trans	-88.8	-22.7	168.3	-73.5	176.5	0	0	0	112.7	I97 N98 G99 E103 F104 L687 R691	I97-L101 WeakPolarHBondContact O-CG 3.39Å; I97-L101 PolarHBondContact O-N 2.88Å; I97-L101 VanDerWaalsContact O-N 3.11Å; N98-L101 PolarHBondContact O-N 2.74Å; N98-L101 VanDerWaalsContact O-N 3.08Å; G99-L101 VanDerWaalsContact C-N 3.29Å; G99-L101 PolarHBondContact O-N 2.87Å; L101-E103 VanDerWaalsContact C-N 3.34Å; L101-F104 HydrophobicContact CD2-CD2 3.98Å; L101-F104 HydrophobicContact CD2-CE2 4.11Å; L101-F104 WeakPolarHBondContact O-CB 3.17Å; L101-F104 PolarHBondContact O-N 3.47Å; L101-L687 HydrophobicContact CD2-CD2 4.12Å; L101-R691 HydrophobicContact CD1-CG 3.48Å; L101-R691 VanDerWaalsContact CD1-CG 3.48Å
102	E	49	Very low	42.8	Very low	142 Å²	142	87.4 Å²	87.4	66%	0.664	48%	0.477	S	S	*	.	H	α-helix	trans	-74.4	-27.8	168.4	-70.5	173.3	-175.5	0	0	111.4	N98 G99 F104 D105	N98-E102 PolarHBondContact O-N 3.28Å; G99-E102 PolarHBondContact O-N 3.24Å; E102-F104 PolarHBondContact O-N 3.14Å; E102-D105 PolarHBondContact O-N 3.15Å
103	E	50.8	Low	42.9	Very low	73 Å²	73	83.3 Å²	83.3	34%	0.341	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-66.9	-18.6	172.9	-73.9	-172.2	167.6	0	0	113.7	K93 G99 L101 D105 N106 I107	K93-E103 IonicContact NZ-OE1 3.12Å; G99-E103 PolarHBondContact O-N 2.84Å; L101-E103 VanDerWaalsContact C-N 3.34Å; E103-D105 PolarHBondContact O-N 3.02Å; E103-N106 WeakPolarHBondContact O-CA 3.28Å; E103-N106 WeakPolarHBondContact O-CB 3.4Å; E103-N106 PolarHBondContact O-N 2.89Å; E103-N106 PolarHBondContact O-ND2 3.23Å; E103-I107 PolarHBondContact O-N 2.84Å
104	F	50	Low	42.5	Very low	19 Å²	19	80.5 Å²	80.5	8%	0.083	45%	0.445	C	S	.	.	G	3₁₀ helix	trans	-63.9	-22.8	175.7	-112	-81	0	0	0	114.4	L101 E102 N106 I107 V109 L641 L687 M690	L101-F104 HydrophobicContact CD2-CD2 3.98Å; L101-F104 HydrophobicContact CD2-CE2 4.11Å; L101-F104 WeakPolarHBondContact O-CB 3.17Å; L101-F104 PolarHBondContact O-N 3.47Å; E102-F104 PolarHBondContact O-N 3.14Å; F104-N106 PolarHBondContact O-N 2.95Å; F104-N106 VanDerWaalsContact O-N 3.08Å; F104-I107 HydrophobicContact CD1-CB 4.1Å; F104-I107 HydrophobicContact CD1-CG2 4.39Å; F104-I107 HydrophobicContact CG-CB 4.48Å; F104-I107 HydrophobicContact CG-CD1 4.47Å; F104-I107 CarbonylContact O-C 3.53Å; F104-I107 PolarHBondContact O-N 3.03Å; F104-V109 HydrophobicContact CD1-CG2 3.65Å; F104-V109 HydrophobicContact CE1-CG2 3.69Å; F104-L641 HydrophobicContact CE2-CD2 3.35Å; F104-L641 HydrophobicContact CE2-CG 4.46Å; F104-L641 HydrophobicContact CZ-CD2 3.42Å; F104-L641 VanDerWaalsContact CZ-CD2 3.42Å; F104-L641 HydrophobicContact CZ-CG 4.08Å; F104-L687 HydrophobicContact CB-CD1 3.84Å; F104-L687 HydrophobicContact CB-CD2 3.3Å; F104-L687 HydrophobicContact CB-CG 3.94Å; F104-L687 HydrophobicContact CD1-CD2 4.16Å; F104-L687 HydrophobicContact CD2-CD2 3.75Å; F104-L687 HydrophobicContact CE2-CD2 4.47Å; F104-L687 HydrophobicContact CG-CD2 3.54Å; F104-L687 HydrophobicContact CG-CG 4.43Å; F104-M690 HydrophobicContact CD1-CE 4.31Å; F104-M690 HydrophobicContact CD2-CE 4.49Å; F104-M690 HydrophobicContact CE1-CE 3.83Å; F104-M690 HydrophobicContact CE2-CE 3.99Å; F104-M690 HydrophobicContact CE2-SD 4.4Å; F104-M690 HydrophobicContact CZ-CE 3.63Å; F104-M690 HydrophobicContact CZ-SD 3.93Å
105	D	41	Very low	42.5	Very low	139 Å²	139	78.1 Å²	78.1	74%	0.743	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-63.3	-13.3	171.2	-75.6	-18.5	0	0	0	112	E102 E103 L687	E102-D105 PolarHBondContact O-N 3.15Å; E103-D105 PolarHBondContact O-N 3.02Å; D105-L687 WeakPolarHBondContact OD1-CD1 3.36Å
106	N	38.1	Very low	42.1	Very low	139 Å²	139	79.2 Å²	79.2	74%	0.743	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-104.4	-8.4	172.6	-46	-94.9	0	0	0	112.7	E103 F104	E103-N106 WeakPolarHBondContact O-CA 3.28Å; E103-N106 WeakPolarHBondContact O-CB 3.4Å; E103-N106 PolarHBondContact O-N 2.89Å; E103-N106 PolarHBondContact O-ND2 3.23Å; F104-N106 PolarHBondContact O-N 2.95Å; F104-N106 VanDerWaalsContact O-N 3.08Å
107	I	41.6	Very low	41.3	Very low	83 Å²	83	86.2 Å²	86.2	43%	0.426	44%	0.438	S	S	.	.	S	Bend	trans	-101.3	99.1	177.1	-57	173.8	0	0	0	106.9	E103 F104 V109	E103-I107 PolarHBondContact O-N 2.84Å; F104-I107 HydrophobicContact CD1-CB 4.1Å; F104-I107 HydrophobicContact CD1-CG2 4.39Å; F104-I107 HydrophobicContact CG-CB 4.48Å; F104-I107 HydrophobicContact CG-CD1 4.47Å; F104-I107 CarbonylContact O-C 3.53Å; F104-I107 PolarHBondContact O-N 3.03Å; I107-V109 PolarHBondContact O-N 3.36Å
108	S	33.9	Very low	40.3	Very low	81 Å²	81	90.2 Å²	90.2	57%	0.566	46%	0.455	S	S	*	.			trans	-58.8	106.3	179.5	-166.3	0	0	0	0	110.2	T110	S108-T110 PolarHBondContact O-N 2.91Å
109	V	37.5	Very low	39.4	Very low	51 Å²	51	90.2 Å²	90.2	31%	0.309	46%	0.463	S	S	.	.			trans	-71.5	98.2	175	-176.4	0	0	0	0	107.2	F104 I107 R111 P645	F104-V109 HydrophobicContact CD1-CG2 3.65Å; F104-V109 HydrophobicContact CE1-CG2 3.69Å; I107-V109 PolarHBondContact O-N 3.36Å; V109-R111 PolarHBondContact O-N 3.33Å; V109-P645 HydrophobicContact CG1-CG 3.56Å
110	T	36.2	Very low	38.6	Very low	56 Å²	56	93.7 Å²	93.7	34%	0.344	48%	0.482	S	S	.	.			trans	-57.1	112.2	174.2	-3.5	0	0	0	0	108.6	S108 S112 S497	S108-T110 PolarHBondContact O-N 2.91Å; T110-S112 PolarHBondContact O-N 2.64Å; T110-S497 WeakPolarHBondContact CG2-O 3.46Å
111	R	31.9	Very low	37.6	Very low	199 Å²	199	95.8 Å²	95.8	75%	0.751	50%	0.501	S	S	*	.			trans	-67	99	167	-66.3	-177.9	-178.6	-172.4	-1.1	107.2	V109 N113	V109-R111 PolarHBondContact O-N 3.33Å; R111-N113 PolarHBondContact O-N 2.81Å
112	S	30.8	Very low	36.5	Very low	11 Å²	11	98.6 Å²	98.6	8%	0.077	53%	0.532	C	S	.	.	S	Bend	trans	-56.4	132.5	158.1	-63.2	0	0	0	0	107.6	T110 S497	T110-S112 PolarHBondContact O-N 2.64Å; S112-S497 WeakPolarHBondContact OG-CB 3.25Å; S112-S497 PolarHBondContact OG-OG 3.39Å
113	N	37.5	Very low	35.7	Very low	43 Å²	43	98.6 Å²	98.6	23%	0.23	54%	0.542	C	S	.	.			trans	50.1	77.7	178.3	-66.6	15.6	0	0	0	116.6	R111 L115 D610	R111-N113 PolarHBondContact O-N 2.81Å; N113-L115 HydrophobicContact CB-CD1 4.37Å; N113-L115 HydrophobicContact CB-CG 4.29Å; N113-L115 PolarHBondContact O-N 3.05Å; N113-D610 HydrophobicContact CB-CB 4.39Å; N113-D610 WeakPolarHBondContact CB-OD1 3.5Å; N113-D610 VanDerWaalsContact ND2-CB 3.32Å; N113-D610 WeakPolarHBondContact ND2-CB 3.08Å; N113-D610 VanDerWaalsContact ND2-CG 3.28Å; N113-D610 PolarHBondContact ND2-OD1 2.83Å
114	S	30	Very low	34.7	Very low	77 Å²	77	104 Å²	104	54%	0.538	57%	0.568	S	S	.	*			trans	-80.4	53.6	157.3	-163.7	0	0	0	0	111.5	R116	S114-R116 PolarHBondContact O-N 2.72Å
115	L	34.7	Very low	33.9	Very low	86 Å²	86	112 Å²	112	45%	0.45	61%	0.605	S	S	.	*			trans	-66.2	3.4	174.8	-75	173.6	0	0	0	113.7	N113	N113-L115 HydrophobicContact CB-CD1 4.37Å; N113-L115 HydrophobicContact CB-CG 4.29Å; N113-L115 PolarHBondContact O-N 3.05Å
116	R	37.5	Very low	33.4	Very low	118 Å²	118	110.5 Å²	110.5	45%	0.445	61%	0.611	S	S	.	*			trans	-105.1	117.7	175.8	-64.9	-173.6	-174.1	177.8	3.2	110.6	S114	S114-R116 PolarHBondContact O-N 2.72Å
117	K	30.9	Very low	33	Very low	206 Å²	206	107.5 Å²	107.5	90%	0.896	61%	0.614	S	S	*	*	S	Bend	trans	-84.7	-24.1	164.7	-148.8	175.3	-171.9	178.7	0	112
118	E	28.9	Very low	32.4	Very low	163 Å²	163	111.2 Å²	111.2	76%	0.762	63%	0.633	S	S	*	*	S	Bend	trans	-143.2	162.1	178.5	-69.4	-61.1	164.9	0	0	110.7
119	S	29.3	Very low	32.1	Very low	99 Å²	99	112.8 Å²	112.8	69%	0.692	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-90.4	147.1	171.7	-68.6	0	0	0	0	111.4
120	P	33.6	Very low	31.8	Very low	91 Å²	91	115.7 Å²	115.7	59%	0.591	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-60	137	172.6	-22.6	33.5	0	0	0	111.9	G122	P120-G122 PolarHBondContact O-N 3.21Å
121	P	32.9	Very low	31.4	Very low	123 Å²	123	122.4 Å²	122.4	80%	0.799	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-67.4	129.5	174	27.7	-33.4	0	0	0	110.4	V123	P121-V123 PolarHBondContact O-N 3.22Å
122	G	30.1	Very low	31.6	Very low	71 Å²	71	118.8 Å²	118.8	73%	0.732	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-65.5	131.8	-177.3	0	0	0	0	0	112.9	P120 Q124	P120-G122 PolarHBondContact O-N 3.21Å; G122-Q124 PolarHBondContact O-N 3.08Å; G122-Q124 VanDerWaalsContact O-N 3.15Å
123	V	31.6	Very low	31.5	Very low	143 Å²	143	126.4 Å²	126.4	87%	0.867	73%	0.732	S	S	*	*			trans	-66.2	110.9	176.7	-179.4	0	0	0	0	109.8	P121	P121-V123 PolarHBondContact O-N 3.22Å
124	Q	31	Very low	30.9	Very low	187 Å²	187	127.7 Å²	127.7	87%	0.874	76%	0.755	S	S	*	*			trans	-72.9	127.9	171.6	-66.8	-173.3	1.3	0	0	110.1	G122	G122-Q124 PolarHBondContact O-N 3.08Å; G122-Q124 VanDerWaalsContact O-N 3.15Å
125	Q	32.2	Very low	30.9	Very low	187 Å²	187	129.7 Å²	129.7	87%	0.874	77%	0.769	S	S	*	*			trans	-71.1	140	173.3	-69.1	179.7	-16.7	0	0	110.5	G127	Q125-G127 PolarHBondContact O-N 2.82Å
126	A	31.5	Very low	30.5	Very low	106 Å²	106	129.1 Å²	129.1	88%	0.876	78%	0.784	S	S	*	*			trans	-72.9	106.8	179.4	0	0	0	0	0	111.6
127	G	28.7	Very low	30.1	Very low	77 Å²	77	131.6 Å²	131.6	79%	0.794	80%	0.8	S	S	*	*			trans	-89.3	138.6	167.4	0	0	0	0	0	111.7	Q125	Q125-G127 PolarHBondContact O-N 2.82Å
128	I	29.5	Very low	29.9	Very low	161 Å²	161	129.3 Å²	129.3	83%	0.826	80%	0.797	S	S	*	*			trans	-99	149.1	-176.6	-67.3	174.3	0	0	0	111
129	S	28.2	Very low	29.9	Very low	113 Å²	113	125.8 Å²	125.8	79%	0.79	80%	0.796	S	S	*	*			trans	76.4	147.1	175.6	85.7	0	0	0	0	115.5
130	S	30.4	Very low	29.8	Very low	112 Å²	112	125.5 Å²	125.5	78%	0.783	80%	0.799	S	S	*	*			cis	-148.2	163.9	0	47.6	0	0	0	0	111.8
131	K	28.8	Very low	29.5	Very low	198 Å²	198	127.6 Å²	127.6	86%	0.861	81%	0.805	S	S	*	*			trans	-97.2	147.1	167.9	-75.1	-174.5	175	-179	0	109.7
132	P	35.6	Very low	29.3	Very low	122 Å²	122	129.4 Å²	129.4	79%	0.792	80%	0.803	S	S	*	*				-142.8	-178.7	89.9	35.4	-18.9	0	0	0	113.1
133	L	27.8	Very low	29.2	Very low	172 Å²	172	133.4 Å²	133.4	90%	0.901	80%	0.802	S	S	*	*			cis	-174.1	139.5	-37	-178.3	74.8	0	0	0	107.4
134	G	26.4	Very low	29.1	Very low	69 Å²	69	133.1 Å²	133.1	71%	0.711	80%	0.796	S	S	*	*			trans	96	156.6	168.2	0	0	0	0	0	116.5
135	S	28.4	Very low	28.9	Very low	120 Å²	120	127 Å²	127	84%	0.839	78%	0.783	S	S	*	*			cis	-175.3	127.3	-14.1	46.4	0	0	0	0	111.5
136	G	27	Very low	28.6	Very low	74 Å²	74	127.2 Å²	127.2	76%	0.763	78%	0.781	S	S	*	*			trans	75.2	163.9	170.1	0	0	0	0	0	116.6
137	H	28.8	Very low	28.4	Very low	170 Å²	170	128.5 Å²	128.5	79%	0.787	77%	0.774	S	S	*	*			cis	-162.9	128.1	-7.1	-135.6	-44.1	0	0	0	112.8
138	L	27.4	Very low	28.4	Very low	157 Å²	157	132.9 Å²	132.9	82%	0.822	77%	0.773	S	S	*	*			trans	55	167.5	150.7	-80.9	172.2	0	0	0	123.8
139	A	28.1	Very low	28.2	Very low	89 Å²	89	134.9 Å²	134.9	74%	0.736	77%	0.771	S	S	*	*			trans	71.6	128.6	-177.4	0	0	0	0	0	115.3
140	A	28	Very low	28.2	Very low	93 Å²	93	139 Å²	139	77%	0.769	77%	0.771	S	S	*	*			cis	73.7	138.2	29.5	0	0	0	0	0	113.4
141	L	27.4	Very low	28.1	Very low	135 Å²	135	137.9 Å²	137.9	71%	0.707	76%	0.763	S	S	*	*			cis	-157.5	156.9	13.8	-165.1	72	0	0	0	110.1
142	E	28.5	Very low	27.9	Very low	161 Å²	161	138.9 Å²	138.9	75%	0.752	76%	0.761	S	S	*	*			trans	57.9	159.2	157.1	-81.5	154.8	-153.1	0	0	120
143	E	28.9	Very low	27.4	Very low	155 Å²	155	144 Å²	144	72%	0.724	77%	0.766	S	S	*	*			cis	-161.3	173.4	-34.2	-149	-162.5	-167.1	0	0	109.3
144	N	28.7	Very low	27.3	Very low	137 Å²	137	141.6 Å²	141.6	73%	0.733	76%	0.764	S	S	*	*			trans	67.9	134.4	168.4	-60.6	-65.3	0	0	0	118
145	G	26.6	Very low	27.3	Very low	58 Å²	58	143.1 Å²	143.1	60%	0.598	76%	0.763	S	S	*	*			cis	167.9	152.8	-8.4	0	0	0	0	0	112.6
146	F	26.9	Very low	27.2	Very low	193 Å²	193	144.6 Å²	144.6	85%	0.846	76%	0.761	S	S	*	*			trans	63.5	138.4	170.4	-72.2	-102	0	0	0	117.7
147	N	26.3	Very low	27.4	Very low	133 Å²	133	148.1 Å²	148.1	71%	0.711	76%	0.762	S	S	*	*			cis	-152	152	-12.8	-148.6	7.1	0	0	0	111.8
148	H	29	Very low	27.3	Very low	168 Å²	168	146.2 Å²	146.2	78%	0.778	76%	0.757	S	S	*	*			trans	-107.5	-167.4	163.9	-93.9	-67.5	0	0	0	109.4
149	Y	26	Very low	27.3	Very low	203 Å²	203	144.3 Å²	144.3	80%	0.796	75%	0.753	S	S	*	*			trans	81.5	135.9	179.8	-72.3	-106.2	0	0	0	116.2
150	Y	26.8	Very low	27.3	Very low	201 Å²	201	145.6 Å²	145.6	79%	0.788	76%	0.756	S	S	*	*			cis	-156.2	-170.5	-15.4	-149.3	-117.6	0	0	0	112.3
151	S	28.4	Very low	27.3	Very low	87 Å²	87	146.3 Å²	146.3	61%	0.608	76%	0.755	S	S	*	*			trans	-108.9	161.8	-175.6	-175.1	0	0	0	0	113.5
152	R	25.1	Very low	27.5	Very low	219 Å²	219	150.5 Å²	150.5	83%	0.826	76%	0.762	S	S	*	*			trans	72.1	139.3	170.8	-47	179.5	-170	166.8	2	117.6
153	Y	25.7	Very low	27.5	Very low	229 Å²	229	149.2 Å²	149.2	90%	0.898	76%	0.76	S	S	*	*				-136.6	142.4	128.1	-91.8	-76	0	0	0	110.4
154	S	25.1	Very low	27.4	Very low	123 Å²	123	150.9 Å²	150.9	86%	0.86	77%	0.766	S	S	*	*			trans	-162.8	114.5	169.6	169.9	0	0	0	0	106.1
155	C	26.8	Very low	27.3	Very low	100 Å²	100	149.1 Å²	149.1	68%	0.676	76%	0.764	S	S	*	*			trans	-170	133.1	175.1	46.8	0	0	0	0	109.3
156	D	26.6	Very low	27.5	Very low	152 Å²	152	153.3 Å²	153.3	81%	0.813	77%	0.772	S	S	*	*			trans	-78.3	-168.7	161	-64.4	-72.9	0	0	0	110.4
157	L	29.4	Very low	27.6	Very low	148 Å²	148	152.9 Å²	152.9	78%	0.775	77%	0.773	S	S	*	*			trans	-56.8	163.9	177.9	-71.8	74.2	0	0	0	112.5
158	D	27.8	Very low	27.8	Very low	129 Å²	129	151.2 Å²	151.2	69%	0.69	78%	0.777	S	S	*	*			cis	-160	160	35.4	-138.6	-35	0	0	0	117
159	T	27	Very low	27.9	Very low	118 Å²	118	147 Å²	147	72%	0.724	78%	0.779	S	S	*	*			trans	2.6	131.1	160.1	-58.9	0	0	0	0	123.2
160	S	27.6	Very low	28.4	Very low	115 Å²	115	147 Å²	147	80%	0.804	78%	0.783	S	S	*	*			trans	149.7	157.4	131.4	56.2	0	0	0	0	113.5
161	S	29.7	Very low	29.5	Very low	108 Å²	108	143.2 Å²	143.2	76%	0.755	78%	0.783	S	S	*	*			cis	-171.3	159.1	-30	-176.9	0	0	0	0	110.1
162	R	29.8	Very low	29.6	Very low	223 Å²	223	142.9 Å²	142.9	84%	0.842	78%	0.781	S	S	*	*			trans	80	148.1	177.8	-61.2	-172.8	176.3	169.3	-0.1	116.8
163	D	29.7	Very low	29.8	Very low	135 Å²	135	141.5 Å²	141.5	72%	0.722	78%	0.781	S	S	*	*			cis	-126.5	163.8	19.7	-94.2	-51.9	0	0	0	117.4
164	F	27.1	Very low	30	Very low	190 Å²	190	135.1 Å²	135.1	83%	0.833	77%	0.77	S	S	*	*			trans	-8.1	136.5	171.5	-74.2	-96.5	0	0	0	123.1
165	S	26.4	Very low	30.4	Very low	100 Å²	100	136.3 Å²	136.3	70%	0.699	77%	0.765	S	S	*	*				-171.3	140.9	92	-158.2	0	0	0	0	115.8
166	L	30.7	Very low	30.7	Very low	146 Å²	146	139 Å²	139	76%	0.764	77%	0.773	S	S	*	*			trans	47	124.8	156.8	-68.3	165.8	0	0	0	124.2
167	E	27.8	Very low	30.9	Very low	184 Å²	184	135 Å²	135	86%	0.86	77%	0.768	S	S	*	*			trans	52.6	143.4	142.8	-65.2	-160.2	157.3	0	0	122.7
168	A	31.2	Very low	31.2	Very low	97 Å²	97	135.3 Å²	135.3	80%	0.802	77%	0.77	S	S	*	*			cis	-161.2	155.3	-11.2	0	0	0	0	0	111.6
169	G	30.8	Very low	31.3	Very low	80 Å²	80	140.1 Å²	140.1	83%	0.825	78%	0.779	S	S	*	*			trans	150.6	142.2	172.7	0	0	0	0	0	114.4
170	K	37.3	Very low	31.7	Very low	204 Å²	204	138.5 Å²	138.5	89%	0.887	78%	0.777	S	S	*	*			trans	-135.4	167.2	-177.4	-74.3	-176.5	177.1	179.6	0	111.4
171	P	49.1	Very low	31.9	Very low	121 Å²	121	139.6 Å²	139.6	79%	0.786	78%	0.779	S	S	*	*			cis	-107.9	-123.8	-9.8	26.1	-3.1	0	0	0	109.5
172	S	30.7	Very low	31.8	Very low	79 Å²	79	137.4 Å²	137.4	55%	0.552	77%	0.773	S	S	*	*			cis	-177.5	147.9	-10	33.1	0	0	0	0	105.3
173	F	29.4	Very low	31.8	Very low	191 Å²	191	138.3 Å²	138.3	84%	0.838	78%	0.777	S	S	*	*			cis	-145	146.2	3.9	-78.4	-59.7	0	0	0	105.6
174	S	30.4	Very low	31.9	Very low	95 Å²	95	140.4 Å²	140.4	66%	0.664	78%	0.782	S	S	*	*			cis	84.8	139.6	49.6	82.7	0	0	0	0	115.9
175	I	32.7	Very low	31.9	Very low	148 Å²	148	142.3 Å²	142.3	76%	0.759	79%	0.785	S	S	*	*			trans	90.6	97.2	-172.3	-56.2	173.8	0	0	0	112.2
176	D	33.8	Very low	32	Very low	156 Å²	156	147.9 Å²	147.9	83%	0.834	79%	0.791	S	S	*	*				86.5	138.6	67.5	-61.5	-31.4	0	0	0	112.9
177	G	31.6	Very low	32	Very low	69 Å²	69	149.8 Å²	149.8	71%	0.711	79%	0.793	S	S	*	*			cis	171.3	158.1	-6.2	0	0	0	0	0	113.1
178	D	34.3	Very low	32	Very low	154 Å²	154	147 Å²	147	82%	0.824	79%	0.789	S	S	*	*			trans	46.2	166	167.8	-61.1	-23.4	0	0	0	120.2
179	W	31.2	Very low	32.1	Very low	230 Å²	230	151.8 Å²	151.8	87%	0.871	79%	0.792	S	S	*	*			cis	-136.2	148.7	14.6	-70.4	56.1	0	0	0	108.4
180	A	34.2	Very low	32.1	Very low	83 Å²	83	157 Å²	157	69%	0.686	80%	0.795	S	S	*	*				62.6	126.8	59.4	0	0	0	0	0	113.2
181	V	31.5	Very low	31.8	Very low	139 Å²	139	154.8 Å²	154.8	84%	0.842	79%	0.793	S	S	*	*			cis	-155.3	161	8	-176.9	0	0	0	0	107.2
182	G	29	Very low	30.9	Very low	62 Å²	62	152.1 Å²	152.1	64%	0.639	79%	0.787	S	S	*	*			cis	139.1	154.8	-2.1	0	0	0	0	0	113
183	R	29.8	Very low	30.9	Very low	242 Å²	242	157 Å²	157	91%	0.913	80%	0.8	S	S	*	*			trans	75.9	141.8	-178.4	-55.8	-178	-173	-162.2	1.4	115.4
184	H	30.1	Very low	30.9	Very low	178 Å²	178	153.3 Å²	153.3	82%	0.824	80%	0.798	S	S	*	*			cis	124.7	123.6	8.2	-99.7	43.8	0	0	0	110.2
185	Y	27.8	Very low	30.9	Very low	231 Å²	231	157.3 Å²	157.3	91%	0.906	81%	0.806	S	S	*	*				-173.8	171.3	125.9	-110.6	-78.7	0	0	0	111.8
186	R	29.8	Very low	31.8	Very low	217 Å²	217	155.6 Å²	155.6	82%	0.819	81%	0.805	S	S	*	*			trans	-141.3	-177.1	-174.7	-96.3	-170.1	-178.7	178.8	3.5	110.8
187	F	29.5	Very low	31.6	Very low	186 Å²	186	156.6 Å²	156.6	82%	0.816	81%	0.808	S	S	*	*			trans	85.8	142.6	171.4	-71.6	-100	0	0	0	115.7
188	T	28.9	Very low	31.5	Very low	126 Å²	126	164.6 Å²	164.6	77%	0.773	82%	0.817	S	S	*	*			cis	-157.9	173.9	-18.7	2.8	0	0	0	0	111.5
189	K	32.7	Very low	31.2	Very low	196 Å²	196	162.2 Å²	162.2	85%	0.852	81%	0.813	S	S	*	*			trans	-83.9	153	169.9	-63.3	179.8	176	-178.5	0	113.2
190	Q	30.5	Very low	32.1	Very low	190 Å²	190	156 Å²	156	89%	0.888	80%	0.802	S	S	*	*				-168.1	-175.2	122.6	-106.9	-175.1	31.5	0	0	113.2
191	N	31.1	Very low	31.8	Very low	158 Å²	158	161.4 Å²	161.4	85%	0.845	81%	0.81	S	S	*	*			trans	-99.6	163.3	-156	-56.9	-20.3	0	0	0	115.3
192	G	29.3	Very low	32.1	Very low	64 Å²	64	165.1 Å²	165.1	66%	0.66	81%	0.811	S	S	*	*			trans	-175.2	161.3	169.3	0	0	0	0	0	114.4
193	H	31.6	Very low	33.3	Very low	181 Å²	181	167 Å²	167	84%	0.838	81%	0.812	S	S	*	*			trans	-139.6	174.3	-174.6	-55	-36	0	0	0	109.5
194	S	29.3	Very low	33.5	Very low	114 Å²	114	162.4 Å²	162.4	80%	0.797	81%	0.805	S	S	*	*			cis	-153.7	175.6	24.7	-63.2	0	0	0	0	113.6
195	H	29.7	Very low	33.8	Very low	180 Å²	180	158.6 Å²	158.6	83%	0.833	80%	0.804	S	S	*	*			trans	-65	176.3	163.7	-60.5	-69.9	0	0	0	113.8
196	P	52.5	Low	34.2	Very low	112 Å²	112	155.8 Å²	155.8	73%	0.727	80%	0.801	S	S	*	*			cis	-133.6	179.3	-37.2	35.1	-18.4	0	0	0	113.2
197	I	30.3	Very low	35.1	Very low	177 Å²	177	151.1 Å²	151.1	91%	0.908	80%	0.799	S	S	*	*			trans	-166.2	175.7	146.1	-107.1	156.3	0	0	0	112.2
198	R	27.7	Very low	35.2	Very low	236 Å²	236	151.2 Å²	151.2	89%	0.891	80%	0.802	S	S	*	*			trans	-82.5	167.7	-162.9	-72.6	176.1	168.8	165	-5.5	117.1
199	S	28.7	Very low	35.5	Very low	105 Å²	105	154.6 Å²	154.6	73%	0.734	81%	0.806	S	S	*	*			trans	-65.1	-175	162.9	60.3	0	0	0	0	112.7
200	P	49.4	Very low	35.5	Very low	100 Å²	100	149.7 Å²	149.7	65%	0.649	80%	0.796	S	S	*	*			cis	-148.6	-164.2	21.8	34.7	-7.3	0	0	0	118.5
201	F	29.8	Very low	35.7	Very low	195 Å²	195	146.2 Å²	146.2	86%	0.855	78%	0.784	S	S	*	*			trans	110.5	138.6	161	-76.1	-80.2	0	0	0	121.1
202	Y	36.3	Very low	35.6	Very low	218 Å²	218	149 Å²	149	86%	0.855	78%	0.784	S	S	*	*			trans	-132.2	179.5	172.8	-123	-133.4	0	0	0	104
203	P	55.3	Low	35.6	Very low	102 Å²	102	148.9 Å²	148.9	66%	0.662	78%	0.783	S	S	*	*			cis	-138.3	-169.8	-4.6	32.5	-8.6	0	0	0	115.2
204	D	33.3	Very low	35.6	Very low	145 Å²	145	150.4 Å²	150.4	78%	0.775	79%	0.788	S	S	*	*				101.5	137.1	129.6	-138.6	-7.8	0	0	0	122
205	A	35.6	Very low	36.1	Very low	97 Å²	97	153 Å²	153	80%	0.802	79%	0.792	S	S	*	*			trans	170.8	102.5	153.3	0	0	0	0	0	111.8
206	M	37	Very low	36.6	Very low	172 Å²	172	150.2 Å²	150.2	85%	0.847	79%	0.789	S	S	*	*			trans	-102.8	156.3	163	-98.4	-89	-162.7	0	0	110.5
207	P	49	Very low	36.4	Very low	119 Å²	119	150.7 Å²	150.7	77%	0.773	79%	0.792	S	S	*	*			trans	-111.1	163.7	146.5	-5.7	26.3	0	0	0	113
208	Q	32.1	Very low	36.9	Very low	189 Å²	189	149.3 Å²	149.3	88%	0.883	79%	0.787	S	S	*	*			trans	-104.6	174.9	-169.8	-73.2	-166.1	-4.6	0	0	115.9
209	K	34.1	Very low	37	Very low	196 Å²	196	149.4 Å²	149.4	85%	0.852	79%	0.789	S	S	*	*			trans	-59.7	-173.8	171.6	-26.8	168.7	178.2	174.1	0	113.6
210	S	33.7	Very low	37.2	Very low	93 Å²	93	152 Å²	152	65%	0.65	79%	0.789	S	S	*	*			cis	-152	-159.5	1	51.4	0	0	0	0	109.1
211	D	33.6	Very low	36.3	Very low	118 Å²	118	151.9 Å²	151.9	63%	0.631	79%	0.787	S	S	*	*			cis	-163.3	170.4	7.6	-135.8	-48.7	0	0	0	113.3
212	Y	29.6	Very low	36.4	Very low	216 Å²	216	152.7 Å²	152.7	85%	0.847	79%	0.785	S	S	*	*			trans	59.1	154.9	173.4	-63.2	-77.7	0	0	0	118
213	G	28.6	Very low	36.1	Very low	62 Å²	62	149.3 Å²	149.3	64%	0.639	78%	0.781	S	S	*	*			cis	162.3	150	-13.5	0	0	0	0	0	114.7
214	K	31.6	Very low	34.9	Very low	213 Å²	213	152.2 Å²	152.2	93%	0.926	79%	0.786	S	S	*	*			trans	74.3	153.4	165.2	-60.2	180	178.9	177.2	0	120
215	L	39.8	Very low	34.8	Very low	169 Å²	169	149.8 Å²	149.8	89%	0.885	78%	0.781	S	S	*	*			trans	-88.7	159.5	178.6	-68.9	151.8	0	0	0	112.6
216	P	41.3	Very low	34.6	Very low	120 Å²	120	155.1 Å²	155.1	78%	0.779	79%	0.786	S	S	*	*			trans	-109	165.9	147.6	6.5	16.1	0	0	0	112.7
217	P	48.6	Very low	34.2	Very low	122 Å²	122	150.6 Å²	150.6	79%	0.792	78%	0.784	S	S	*	*			trans	-116.1	-171.2	-162.7	43.5	-34	0	0	0	116.2
218	D	39.5	Very low	33.4	Very low	149 Å²	149	156.8 Å²	156.8	80%	0.797	79%	0.791	S	S	*	*			trans	-63.9	161.9	-178.3	-44	-90.5	0	0	0	116.1
219	Y	30.4	Very low	33.3	Very low	237 Å²	237	153.1 Å²	153.1	93%	0.929	79%	0.787	S	S	*	*			trans	-152.9	169.6	150.9	-133.5	-95.6	0	0	0	113.5
220	H	32.9	Very low	33.2	Very low	161 Å²	161	147.3 Å²	147.3	75%	0.745	78%	0.775	S	S	*	*			trans	-110.9	141.8	-154.7	-96.6	-78.6	0	0	0	118
221	T	31.3	Very low	33.2	Very low	97 Å²	97	149.8 Å²	149.8	60%	0.595	78%	0.781	S	S	*	*			trans	42.3	127.8	136.2	-19	0	0	0	0	122.9
222	Y	30.5	Very low	33.2	Very low	211 Å²	211	152.5 Å²	152.5	83%	0.827	79%	0.79	S	S	*	*				159.7	162	112.3	-104.2	-74.2	0	0	0	116
223	L	31.3	Very low	33.4	Very low	147 Å²	147	148.6 Å²	148.6	77%	0.77	79%	0.788	S	S	*	*			trans	70.9	155.2	169.4	-59.8	171.6	0	0	0	118.6
224	E	29.8	Very low	33.6	Very low	164 Å²	164	149.6 Å²	149.6	77%	0.766	79%	0.79	S	S	*	*			cis	-163.5	147.5	-46.5	-145	-174.6	-176.2	0	0	112.7
225	S	30	Very low	33.6	Very low	94 Å²	94	144.5 Å²	144.5	66%	0.657	78%	0.782	S	S	*	*			trans	75.4	146.5	150.6	87.6	0	0	0	0	122.1
226	K	31	Very low	33.3	Very low	208 Å²	208	142.7 Å²	142.7	90%	0.904	78%	0.778	S	S	*	*			trans	65.1	138.3	162	-63.9	176.2	-178.3	174.7	0	118.4
227	G	29.5	Very low	32.9	Very low	78 Å²	78	143.3 Å²	143.3	80%	0.804	78%	0.779	S	S	*	*			cis	-162.7	177.1	1.4	0	0	0	0	0	114.2
228	R	32.3	Very low	32.2	Very low	249 Å²	249	140.6 Å²	140.6	94%	0.94	77%	0.773	S	S	*	*			trans	-113.9	138	178.1	-65	177.2	176.7	177.7	-1.9	111.1
229	S	29.7	Very low	31.9	Very low	112 Å²	112	139.6 Å²	139.6	78%	0.783	78%	0.778	S	S	*	*			trans	-175.9	147.2	137.5	62.6	0	0	0	0	107.4
230	A	32.7	Very low	32	Very low	74 Å²	74	131.7 Å²	131.7	61%	0.612	77%	0.769	S	S	*	*			cis	71.5	135.6	34	0	0	0	0	0	110.8
231	D	33.6	Very low	32.2	Very low	145 Å²	145	131.4 Å²	131.4	78%	0.775	78%	0.778	S	S	*	*			cis	-155.7	165	12.8	-98	-40.1	0	0	0	112
232	E	33.1	Very low	32.3	Very low	175 Å²	175	130 Å²	130	82%	0.818	78%	0.782	S	S	*	*			trans	47.3	163	138.6	-131.4	154.5	-147.7	0	0	119.7
233	V	33.4	Very low	32.3	Very low	133 Å²	133	125.6 Å²	125.6	81%	0.806	78%	0.783	S	S	*	*			cis	-148.7	155.2	31.9	-177.9	0	0	0	0	112.9
234	A	33	Very low	32.4	Very low	83 Å²	83	122.8 Å²	122.8	69%	0.686	78%	0.775	S	S	*	*			trans	-74.7	177.6	-176.4	0	0	0	0	0	116.9
235	S	31.8	Very low	32.6	Very low	106 Å²	106	118 Å²	118	74%	0.741	77%	0.77	S	S	*	*				-172.2	120.5	124.2	-82.2	0	0	0	0	115.3
236	T	33.9	Very low	32.6	Very low	132 Å²	132	123.1 Å²	123.1	81%	0.81	78%	0.776	S	S	*	*			trans	48.2	159.8	136.3	67.9	0	0	0	0	121.3
237	V	33.7	Very low	32.7	Very low	133 Å²	133	124.4 Å²	124.4	81%	0.806	78%	0.777	S	S	*	*			cis	-136.4	145.7	5.5	-177	0	0	0	0	105.7
238	G	33	Very low	32.7	Very low	64 Å²	64	132.3 Å²	132.3	66%	0.66	78%	0.782	S	S	*	*			cis	102.6	145.5	37.5	0	0	0	0	0	110.2
239	S	33	Very low	32.9	Very low	128 Å²	128	124.8 Å²	124.8	90%	0.895	77%	0.773	S	S	*	*			cis	-165.1	165.8	-9.2	-70.1	0	0	0	0	107.8
240	G	33.1	Very low	33.3	Very low	72 Å²	72	124.7 Å²	124.7	74%	0.742	77%	0.773	S	S	*	*			cis	138.1	82.7	-2.9	0	0	0	0	0	113.5
241	V	36.3	Very low	33.6	Very low	155 Å²	155	128.6 Å²	128.6	94%	0.939	79%	0.789	S	S	*	*			trans	-143.8	135.7	179	-172.2	0	0	0	0	111.2
242	G	33.8	Very low	33.3	Very low	66 Å²	66	125.5 Å²	125.5	68%	0.68	79%	0.791	S	S	*	*			cis	171.9	176.2	-6.3	0	0	0	0	0	114.1
243	S	30.5	Very low	33.1	Very low	120 Å²	120	120.6 Å²	120.6	84%	0.839	79%	0.788	S	S	*	*			trans	76.3	116.5	-178.9	-144.8	0	0	0	0	115.6
244	S	33.3	Very low	33.3	Very low	88 Å²	88	120.5 Å²	120.5	62%	0.615	79%	0.793	S	S	*	*			cis	90.8	126	39.8	-166.2	0	0	0	0	113.2	Y246	S244-Y246 WeakPolarHBondContact OG-CE1 3.24Å; S244-Y246 VanDerWaalsContact OG-CZ 3.24Å; S244-Y246 PolarHBondContact OG-OH 3.25Å
245	G	33	Very low	33.2	Very low	63 Å²	63	122.7 Å²	122.7	65%	0.649	80%	0.803	S	S	*	*			cis	-153	-146.5	-0.9	0	0	0	0	0	109.9
246	Y	31.4	Very low	33.6	Very low	202 Å²	202	122.9 Å²	122.9	79%	0.792	80%	0.804	S	S	*	*			cis	-156.5	-156.4	3.4	-65.7	-77.6	0	0	0	109.6	S244	S244-Y246 WeakPolarHBondContact OG-CE1 3.24Å; S244-Y246 VanDerWaalsContact OG-CZ 3.24Å; S244-Y246 PolarHBondContact OG-OH 3.25Å
247	Y	32.8	Very low	33.7	Very low	235 Å²	235	123.8 Å²	123.8	92%	0.922	80%	0.799	S	S	*	*			trans	-136.4	157.9	-173.6	-78.7	-97.7	0	0	0	114.3
248	R	29.2	Very low	33.9	Very low	243 Å²	243	122.5 Å²	122.5	92%	0.917	79%	0.788	S	S	*	*				161.6	157.2	108.6	-162.3	166.3	-163	164.1	6.7	113.7
249	A	37.4	Very low	33.9	Very low	91 Å²	91	128.2 Å²	128.2	75%	0.752	79%	0.791	S	S	*	*			trans	-144.9	154.9	174.9	0	0	0	0	0	113.5
250	S	38.3	Very low	33.9	Very low	110 Å²	110	131.8 Å²	131.8	77%	0.769	79%	0.785	S	S	*	*			trans	-167.6	126	162.9	-78.5	0	0	0	0	108.2
251	V	37.3	Very low	33.8	Very low	156 Å²	156	133.8 Å²	133.8	95%	0.945	78%	0.779	S	S	*	*				77.5	124	74.4	175.8	0	0	0	0	115.3
252	G	27.7	Very low	33.6	Very low	80 Å²	80	132 Å²	132	83%	0.825	77%	0.768	S	S	*	*			trans	171.7	153.7	170.3	0	0	0	0	0	113.1
253	G	30.2	Very low	33.4	Very low	73 Å²	73	133.3 Å²	133.3	75%	0.753	77%	0.767	S	S	*	*			trans	-179.8	-166.2	-178.8	0	0	0	0	0	116.3
254	S	36.3	Very low	33.4	Very low	131 Å²	131	134.5 Å²	134.5	92%	0.916	77%	0.769	S	S	*	*			trans	100.8	124.7	173.7	-57.2	0	0	0	0	119.5
255	S	32	Very low	33.2	Very low	128 Å²	128	133.8 Å²	133.8	90%	0.895	78%	0.776	S	S	*	*			trans	-175.8	165.9	132.1	63.1	0	0	0	0	112.2
256	S	39	Very low	33.2	Very low	110 Å²	110	137.4 Å²	137.4	77%	0.769	79%	0.785	S	S	*	*			trans	-152.8	-171.7	-172.8	-139.3	0	0	0	0	110.7
257	Q	37.3	Very low	33.9	Very low	151 Å²	151	133.9 Å²	133.9	71%	0.706	79%	0.787	S	S	*	*			cis	-163.8	178.4	22.3	-152.1	171.3	-99.9	0	0	111.8
258	D	37.2	Very low	34.1	Very low	107 Å²	107	128.5 Å²	128.5	57%	0.572	78%	0.784	S	S	*	*			trans	71	162.8	153.9	-71	-38.7	0	0	0	119.2
259	Y	33.3	Very low	34.2	Very low	183 Å²	183	129.1 Å²	129.1	72%	0.718	79%	0.786	S	S	*	*			cis	-156.5	158.2	0.3	-129	-36.4	0	0	0	112.1
260	R	33.4	Very low	33.8	Very low	203 Å²	203	129.1 Å²	129.1	77%	0.766	79%	0.786	S	S	*	*			trans	66.5	144.7	151.5	-70.8	-161.2	-174.3	-158.5	0.1	119.5
261	D	31.2	Very low	33.5	Very low	114 Å²	114	129.2 Å²	129.2	61%	0.61	79%	0.787	S	S	*	*			cis	-158.6	171.5	-9.9	-136.2	-54.1	0	0	0	112.5
262	T	30.2	Very low	33.1	Very low	117 Å²	117	128.9 Å²	128.9	72%	0.718	78%	0.779	S	S	*	*			trans	-3.1	157.5	159.6	37.9	0	0	0	0	122.7
263	S	30.1	Very low	33.3	Very low	94 Å²	94	131.9 Å²	131.9	66%	0.657	77%	0.771	S	S	*	*			cis	177.6	158.8	-20.4	58.2	0	0	0	0	114.4
264	V	32	Very low	33.2	Very low	146 Å²	146	134.1 Å²	134.1	89%	0.885	78%	0.776	S	S	*	*			trans	68.7	133.8	159	-164.6	0	0	0	0	121
265	G	28.8	Very low	33.1	Very low	73 Å²	73	134 Å²	134	75%	0.753	76%	0.76	S	S	*	*			trans	135.6	106.3	138.6	0	0	0	0	0	121
266	T	32.8	Very low	32.8	Very low	139 Å²	139	136.6 Å²	136.6	85%	0.853	76%	0.759	S	S	*	*			trans	-95.9	165.6	152.1	48.7	0	0	0	0	109.5
267	P	45.6	Very low	32.6	Very low	127 Å²	127	137.3 Å²	137.3	83%	0.825	75%	0.752	S	S	*	*			cis	-148.3	-161.8	33	44.4	-22	0	0	0	116.5
268	S	37.9	Very low	32.1	Very low	123 Å²	123	137.2 Å²	137.2	86%	0.86	76%	0.757	S	S	*	*			trans	-87.4	146	-176.9	-40.9	0	0	0	0	115.7
269	R	29.4	Very low	31.9	Very low	255 Å²	255	142.3 Å²	142.3	96%	0.962	77%	0.769	S	S	*	*			trans	-159.7	164	150	-159.1	164.3	171.1	162.2	-2	111.6
270	A	30.8	Very low	32.7	Very low	92 Å²	92	138.6 Å²	138.6	76%	0.76	77%	0.768	S	S	*	*			trans	-124.1	160.5	-171.1	0	0	0	0	0	114.9
271	S	31.6	Very low	32.5	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	77%	0.767	S	S	*	*			trans	-176.1	162.7	167.9	-86.2	0	0	0	0	107.8
272	L	29.3	Very low	32.6	Very low	149 Å²	149	134.9 Å²	134.9	78%	0.78	77%	0.771	S	S	*	*			cis	-158.9	134.2	-27.7	-89.5	168.3	0	0	0	103.2
273	H	30.9	Very low	32.5	Very low	142 Å²	142	138.3 Å²	138.3	66%	0.657	78%	0.779	S	S	*	*				86.4	116.2	54.3	-169.8	73.8	0	0	0	115	E275	H273-E275 WeakPolarHBondContact CE1-CG 3.43Å; H273-E275 IonicContact CE1-OE1 3.88Å; H273-E275 PolarHBondContact CE1-OE1 2.76Å
274	S	27.8	Very low	32.4	Very low	121 Å²	121	144.9 Å²	144.9	85%	0.846	79%	0.789	S	S	*	*			trans	-162.2	154.1	153.8	-167.2	0	0	0	0	108.5
275	E	34.1	Very low	32.2	Very low	127 Å²	127	144 Å²	144	59%	0.593	79%	0.79	S	S	*	*			trans	-130.6	161.3	-160.2	-52.2	-174.9	120.8	0	0	115.2	H273	H273-E275 WeakPolarHBondContact CE1-CG 3.43Å; H273-E275 IonicContact CE1-OE1 3.88Å; H273-E275 PolarHBondContact CE1-OE1 2.76Å
276	Q	26.5	Very low	32.2	Very low	183 Å²	183	152 Å²	152	86%	0.855	80%	0.799	S	S	*	*				-172.1	125.1	127.9	-97.1	162.4	10.3	0	0	108.1
277	I	34	Very low	32	Very low	125 Å²	125	149.2 Å²	149.2	64%	0.641	80%	0.798	S	S	*	*				75.3	122.8	58.6	-64	167.2	0	0	0	110.3
278	N	26.8	Very low	31.2	Very low	149 Å²	149	146.3 Å²	146.3	80%	0.797	79%	0.791	S	S	*	*			cis	-154	170	9.2	-140.2	-6.1	0	0	0	114.5
279	Y	33.1	Very low	30.8	Very low	214 Å²	214	148.7 Å²	148.7	84%	0.839	79%	0.793	S	S	*	*			trans	-88.4	-168.5	157.9	-102.2	-98.8	0	0	0	109.1
280	P	49.8	Very low	30.9	Very low	106 Å²	106	146 Å²	146	69%	0.688	78%	0.783	S	S	*	*			cis	-132.4	-159.2	11.6	45.7	-24.6	0	0	0	113.4
281	D	29.5	Very low	31	Very low	141 Å²	141	147.3 Å²	147.3	75%	0.754	78%	0.777	S	S	*	*			cis	-152.1	-148	2.6	-145.9	-50	0	0	0	112.7
282	S	33.2	Very low	31	Very low	97 Å²	97	149.7 Å²	149.7	68%	0.678	78%	0.776	S	S	*	*			trans	-125	161.4	-168	-36.4	0	0	0	0	112.2
283	E	28.8	Very low	31.1	Very low	190 Å²	190	152.1 Å²	152.1	89%	0.888	78%	0.776	S	S	*	*			trans	-172.4	-179	131.1	-108.3	-164.7	155.3	0	0	114.3
284	W	28	Very low	31.3	Very low	231 Å²	231	151.7 Å²	151.7	88%	0.875	78%	0.779	S	S	*	*			trans	-107.5	161.2	-160.6	-61.1	56.8	0	0	0	114.4
285	S	26.6	Very low	31.6	Very low	129 Å²	129	156 Å²	156	90%	0.902	78%	0.782	S	S	*	*			trans	-175.7	169.4	131.8	-90.1	0	0	0	0	115.4
286	Y	29.7	Very low	31.5	Very low	240 Å²	240	160.9 Å²	160.9	94%	0.941	80%	0.795	S	S	*	*			trans	-116.3	157.6	-171.6	-124.6	-100.9	0	0	0	112.4
287	G	29.2	Very low	32.4	Very low	80 Å²	80	157 Å²	157	83%	0.825	79%	0.786	S	S	*	*			trans	89.1	164.3	170.4	0	0	0	0	0	115.4
288	G	27.8	Very low	32.2	Very low	66 Å²	66	160.3 Å²	160.3	68%	0.68	80%	0.796	S	S	*	*			cis	169.4	146	-6.2	0	0	0	0	0	112.2
289	L	30.8	Very low	32.3	Very low	174 Å²	174	158.3 Å²	158.3	91%	0.911	79%	0.793	S	S	*	*			trans	61.7	178.9	-177.1	-64.7	103.3	0	0	0	116.4
290	R	30.5	Very low	32.3	Very low	198 Å²	198	153.3 Å²	153.3	75%	0.747	79%	0.789	S	S	*	*				172	129.5	-55.7	-170.9	-165.5	157.9	162.4	-0.4	108.1
291	D	33.2	Very low	31.6	Very low	119 Å²	119	158.2 Å²	158.2	64%	0.636	80%	0.796	S	S	*	*			trans	59	169.4	174.9	-46.9	-31.8	0	0	0	113.9
292	E	31.7	Very low	31.8	Very low	163 Å²	163	157.3 Å²	157.3	76%	0.762	80%	0.795	S	S	*	*			cis	-153.8	147.9	-4.5	-149.5	168.5	163.6	0	0	112.2
293	Y	31.2	Very low	31.9	Very low	199 Å²	199	157.2 Å²	157.2	78%	0.78	79%	0.79	S	S	*	*			trans	38.7	135.5	152.8	-87.4	-113.4	0	0	0	126.7
294	D	34.6	Very low	32	Very low	133 Å²	133	156.4 Å²	156.4	71%	0.711	79%	0.787	S	S	*	*			trans	43.8	118.2	138.6	-101.4	-41.5	0	0	0	123.7
295	K	34.8	Very low	32	Very low	212 Å²	212	150.3 Å²	150.3	92%	0.922	78%	0.775	S	S	*	*			trans	-143.5	111.1	144.1	-74.5	-164.7	179.7	171.7	0	114.5
296	R	31.9	Very low	32.2	Very low	229 Å²	229	149.7 Å²	149.7	86%	0.864	77%	0.771	S	S	*	*			trans	-76.5	161.8	154.2	-151.9	156	-179.5	-153.3	0.9	107.6
297	P	45.5	Very low	32.6	Very low	101 Å²	101	144 Å²	144	66%	0.656	76%	0.763	S	S	*	*			cis	-160.9	167.5	41.1	44.9	-22.2	0	0	0	122.6
298	K	29.2	Very low	33.1	Very low	196 Å²	196	146.1 Å²	146.1	85%	0.852	76%	0.76	S	S	*	*			trans	63.8	162.3	149.4	-70	160.8	-177.7	179.6	0	119.8
299	S	29.1	Very low	33.8	Very low	106 Å²	106	149.2 Å²	149.2	74%	0.741	77%	0.769	S	S	*	*			cis	163.7	113.8	-44.6	165.4	0	0	0	0	112.2
300	S	33.9	Very low	33.8	Very low	109 Å²	109	144.9 Å²	144.9	76%	0.762	76%	0.757	S	S	*	*			trans	-160.5	114.8	159	34.2	0	0	0	0	109.9
301	Y	34.4	Very low	33.9	Very low	209 Å²	209	143.2 Å²	143.2	82%	0.82	76%	0.762	S	S	*	*				71.7	135.6	95.8	-91.4	-78.3	0	0	0	113.5
302	V	34.8	Very low	33.7	Very low	122 Å²	122	149.3 Å²	149.3	74%	0.739	78%	0.776	S	S	*	*			cis	-143	154.9	28	-178.3	0	0	0	0	113.4
303	T	33.5	Very low	33.6	Very low	95 Å²	95	150 Å²	150	58%	0.583	78%	0.779	S	S	*	*			trans	-28	168	173.7	63	0	0	0	0	120.6
304	Q	30.9	Very low	33.4	Very low	174 Å²	174	151.4 Å²	151.4	81%	0.813	78%	0.783	S	S	*	*			cis	-141	134.7	28.2	-62.7	172.1	-2	0	0	110.7
305	T	29.3	Very low	33	Very low	103 Å²	103	150.6 Å²	150.6	63%	0.632	79%	0.788	S	S	*	*				71.9	103.3	51.1	67.2	0	0	0	0	114.1
306	S	30.2	Very low	32.6	Very low	116 Å²	116	152 Å²	152	81%	0.811	79%	0.787	S	S	*	*				84.5	159.1	69.1	-68.2	0	0	0	0	112.6
307	P	38.3	Very low	32.6	Very low	119 Å²	119	147 Å²	147	77%	0.773	79%	0.787	S	S	*	*			cis	-144	-178.2	20.5	44.8	-25.1	0	0	0	118.5
308	T	38.5	Very low	31.7	Very low	125 Å²	125	145.1 Å²	145.1	77%	0.767	79%	0.786	S	S	*	*			trans	-76.3	-174.7	154.5	54.4	0	0	0	0	109.7
309	P	42.6	Very low	31.9	Very low	132 Å²	132	142 Å²	142	86%	0.857	79%	0.79	S	S	*	*			cis	-148.5	-132.5	33.8	43.9	-18	0	0	0	115.3
310	A	31	Very low	31.9	Very low	82 Å²	82	140.2 Å²	140.2	68%	0.678	79%	0.787	S	S	*	*			trans	-130.2	173.9	-158.7	0	0	0	0	0	115.3
311	I	32.7	Very low	31.8	Very low	163 Å²	163	142.7 Å²	142.7	84%	0.836	79%	0.791	S	S	*	*			trans	64.2	116.8	161.6	-64.4	172	0	0	0	118
312	R	29.4	Very low	31.4	Very low	248 Å²	248	139.8 Å²	139.8	94%	0.936	79%	0.785	S	S	*	*			trans	-162.8	160.7	132	-110.6	172.4	-175	-165.4	0.6	111.6
313	Q	29.5	Very low	31.2	Very low	177 Å²	177	143 Å²	143	83%	0.827	79%	0.792	S	S	*	*			trans	-97.4	155.2	-178.9	-78.7	-164.4	-6.7	0	0	113.7
314	R	27.4	Very low	30.9	Very low	228 Å²	228	146.1 Å²	146.1	86%	0.86	80%	0.8	S	S	*	*			trans	54.4	126.5	152.6	-93.2	-176.7	169.5	-173.9	-0.6	118.9
315	S	25.5	Very low	30.7	Very low	117 Å²	117	144.7 Å²	144.7	82%	0.818	80%	0.798	S	S	*	*				-163.7	142	104.3	-86.4	0	0	0	0	115.9
316	R	27.8	Very low	30.6	Very low	241 Å²	241	145.9 Å²	145.9	91%	0.909	81%	0.805	S	S	*	*			trans	7	123.3	156.4	-62.4	176.9	169.7	-164.6	-4	121.2
317	S	30.3	Very low	31.2	Very low	123 Å²	123	145.6 Å²	145.6	86%	0.86	80%	0.8	S	S	*	*				-161.5	146.8	123.4	-75	0	0	0	0	106.9
318	G	27.5	Very low	30.7	Very low	62 Å²	62	151 Å²	151	64%	0.639	81%	0.807	S	S	*	*			cis	94	83.6	28.5	0	0	0	0	0	107.9
319	S	33.9	Very low	30.1	Very low	132 Å²	132	148.9 Å²	148.9	92%	0.923	80%	0.802	S	S	*	*			cis	69.6	90.5	48.8	-49.6	0	0	0	0	113.1
320	G	29	Very low	29.5	Very low	67 Å²	67	146.9 Å²	146.9	69%	0.691	80%	0.796	S	S	*	*			trans	170.2	148	175.7	0	0	0	0	0	107.7
321	L	31.5	Very low	29.4	Very low	161 Å²	161	149.3 Å²	149.3	84%	0.843	81%	0.809	S	S	*	*			cis	-146.9	165.3	7	-64	170.2	0	0	0	107.7
322	Q	26.1	Very low	29.2	Very low	149 Å²	149	145 Å²	145	70%	0.696	80%	0.804	S	S	*	*			cis	-173.6	143.8	-26	170.9	168.5	-9	0	0	107.1
323	E	31.5	Very low	29.2	Very low	188 Å²	188	137.7 Å²	137.7	88%	0.879	80%	0.797	S	S	*	*			trans	-94.2	153.9	170	-70	-172.2	144.2	0	0	112.1
324	Q	26.2	Very low	29.2	Very low	162 Å²	162	136.7 Å²	136.7	76%	0.757	80%	0.796	S	S	*	*			trans	-143.2	114.5	166.7	-77.1	-166.9	-36.3	0	0	113.9
325	N	25.6	Very low	29.4	Very low	143 Å²	143	137 Å²	137	77%	0.765	80%	0.797	S	S	*	*			trans	59.8	107.5	140.3	-62.9	-6.3	0	0	0	124.1
326	V	29	Very low	29.3	Very low	128 Å²	128	138.7 Å²	138.7	78%	0.776	80%	0.798	S	S	*	*				10.7	152.1	119.2	-84.6	0	0	0	0	120.5
327	P	41.3	Very low	30	Very low	111 Å²	111	132.6 Å²	132.6	72%	0.721	79%	0.789	S	S	*	*			cis	-153	177.3	46.7	43.5	-22.8	0	0	0	121.3
328	Y	28.6	Very low	30.7	Very low	233 Å²	233	131.1 Å²	131.1	91%	0.914	78%	0.777	S	S	*	*			trans	69.8	148.5	157.7	-99.5	-125.8	0	0	0	119.3
329	A	26.9	Very low	30.7	Very low	79 Å²	79	137 Å²	137	65%	0.653	79%	0.787	S	S	*	*			cis	-170.8	-176.9	-21.6	0	0	0	0	0	111.9
330	A	28.7	Very low	30.4	Very low	90 Å²	90	135 Å²	135	74%	0.744	78%	0.779	S	S	*	*			trans	94.5	83	159.3	0	0	0	0	0	121.8
331	S	29.2	Very low	30.4	Very low	134 Å²	134	140.7 Å²	140.7	94%	0.937	79%	0.787	S	S	*	*				53.7	128.2	117.8	-53.2	0	0	0	0	124.8
332	G	27.9	Very low	30.8	Very low	71 Å²	71	138.4 Å²	138.4	73%	0.732	78%	0.782	S	S	*	*			trans	139.8	103.9	157.5	0	0	0	0	0	112.8
333	A	30	Very low	30.9	Very low	96 Å²	96	141.9 Å²	141.9	79%	0.793	79%	0.791	S	S	*	*				62.5	128.5	66.7	0	0	0	0	0	113
334	L	28.7	Very low	30.8	Very low	155 Å²	155	138 Å²	138	81%	0.812	78%	0.784	S	S	*	*			cis	-165.2	163.9	18	-120.5	160	0	0	0	112.3
335	R	31.3	Very low	30.9	Very low	234 Å²	234	135.6 Å²	135.6	88%	0.883	79%	0.785	S	S	*	*			trans	84.4	123.3	156.4	-68.7	-178.4	180	-153	-1.5	123.7
336	N	25.1	Very low	31	Very low	154 Å²	154	138.7 Å²	138.7	82%	0.824	79%	0.788	S	S	*	*			trans	-72.2	-176.2	157.2	-85.2	-7.4	0	0	0	113.5
337	P	41.1	Very low	30.9	Very low	113 Å²	113	139.2 Å²	139.2	73%	0.734	79%	0.791	S	S	*	*			cis	-135.9	-133	-34.1	39.2	-17.8	0	0	0	109.5
338	P	44.7	Very low	30.3	Very low	92 Å²	92	144 Å²	144	60%	0.597	80%	0.796	S	S	*	*			cis	-128.1	-164.3	-37.4	40.5	-23.1	0	0	0	114.1
339	Q	28.7	Very low	30.8	Very low	185 Å²	185	138.9 Å²	138.9	86%	0.864	79%	0.792	S	S	*	*			trans	71.6	151.9	155.6	-74	166.4	8.1	0	0	118.6
340	A	28.2	Very low	30.8	Very low	91 Å²	91	146.3 Å²	146.3	75%	0.752	80%	0.803	S	S	*	*			cis	-157.8	175.8	-13.6	0	0	0	0	0	112.1
341	H	27.4	Very low	30.9	Very low	185 Å²	185	149.5 Å²	149.5	86%	0.856	81%	0.807	S	S	*	*			trans	-89.2	-178.2	170.2	-61.4	-66.8	0	0	0	111.1
342	P	40.2	Very low	30.9	Very low	114 Å²	114	148.5 Å²	148.5	74%	0.74	80%	0.8	S	S	*	*			cis	-146.3	175.5	12	45.3	-25.1	0	0	0	120
343	Y	28.4	Very low	30.9	Very low	222 Å²	222	154.2 Å²	154.2	87%	0.871	81%	0.808	S	S	*	*			trans	23.3	147.7	147.8	-91.1	-92	0	0	0	127.1
344	S	28.5	Very low	30.8	Very low	107 Å²	107	154.5 Å²	154.5	75%	0.748	80%	0.803	S	S	*	*			trans	72.2	154.7	147.7	-82.7	0	0	0	0	119.7
345	S	28.4	Very low	30.8	Very low	110 Å²	110	155 Å²	155	77%	0.769	81%	0.806	S	S	*	*			cis	-157.8	174.5	-6.3	42.3	0	0	0	0	112.8
346	Y	27.9	Very low	30.7	Very low	209 Å²	209	148.2 Å²	148.2	82%	0.82	80%	0.8	S	S	*	*			trans	-56.8	161.1	175.5	-80.2	-102.3	0	0	0	116
347	T	28.5	Very low	30.8	Very low	139 Å²	139	148.9 Å²	148.9	85%	0.853	80%	0.804	S	S	*	*				-171.5	156.9	121	-75.7	0	0	0	0	112.4
348	Y	27	Very low	30.2	Very low	210 Å²	210	149.5 Å²	149.5	82%	0.824	81%	0.811	S	S	*	*			trans	-83.2	160.3	178	-73.9	-104.4	0	0	0	114
349	P	40.8	Very low	29.5	Very low	127 Å²	127	153.4 Å²	153.4	83%	0.825	82%	0.821	S	S	*	*			trans	-99.5	157.6	157.1	36.5	-30.5	0	0	0	113.5
350	R	27	Very low	29.6	Very low	235 Å²	235	151 Å²	151	89%	0.887	82%	0.819	S	S	*	*			trans	-138.9	152.2	177.2	-159.2	-171.6	-163.5	-132.4	10.4	111.8
351	L	30.1	Very low	29.6	Very low	156 Å²	156	154.9 Å²	154.9	82%	0.817	83%	0.825	S	S	*	*			trans	-24.8	134	174.3	-56.3	165.5	0	0	0	119.9
352	S	29.4	Very low	29.6	Very low	114 Å²	114	149.5 Å²	149.5	80%	0.797	82%	0.82	S	S	*	*			trans	-178.2	143.4	135.6	36.4	0	0	0	0	107.4
353	E	27	Very low	29.1	Very low	191 Å²	191	154.3 Å²	154.3	89%	0.893	83%	0.829	S	S	*	*			cis	105.5	136.2	20.2	-168.6	169.6	-111.7	0	0	114.1
354	S	28.9	Very low	29.1	Very low	101 Å²	101	146.4 Å²	146.4	71%	0.706	82%	0.815	S	S	*	*			trans	94.7	111.4	163.9	-145.2	0	0	0	0	121.7
355	L	27.1	Very low	29.1	Very low	166 Å²	166	148.2 Å²	148.2	87%	0.869	82%	0.817	S	S	*	*			trans	58.8	150.7	135.4	-94.7	69.5	0	0	0	126.4
356	A	29.4	Very low	29.2	Very low	91 Å²	91	153.1 Å²	153.1	75%	0.752	82%	0.82	S	S	*	*			trans	98.1	109.3	142.8	0	0	0	0	0	122
357	N	28.2	Very low	29.2	Very low	169 Å²	169	150.3 Å²	150.3	90%	0.904	81%	0.814	S	S	*	*			trans	6.2	132.6	146.2	-57	-6.7	0	0	0	121.4
358	S	29	Very low	29.1	Very low	126 Å²	126	153.2 Å²	153.2	88%	0.881	81%	0.809	S	S	*	*				-158.3	169.6	116.1	-160.7	0	0	0	0	112.1
359	Q	28.9	Very low	29.2	Very low	173 Å²	173	147.6 Å²	147.6	81%	0.808	80%	0.8	S	S	*	*			trans	-110.8	149.1	179.2	-57.9	170.6	-10.1	0	0	111.1
360	T	30.3	Very low	28.6	Very low	134 Å²	134	147.9 Å²	147.9	82%	0.822	79%	0.794	S	S	*	*			trans	-176.8	111.6	137.4	37.3	0	0	0	0	114.6
361	I	29.3	Very low	28.6	Very low	173 Å²	173	147 Å²	147	89%	0.887	79%	0.791	S	S	*	*				38.8	132	125.7	-55.5	174.2	0	0	0	121.8
362	G	27.9	Very low	28.3	Very low	72 Å²	72	145.7 Å²	145.7	74%	0.742	79%	0.785	S	S	*	*			trans	123.5	112.6	156.6	0	0	0	0	0	114
363	K	29.4	Very low	28.2	Very low	215 Å²	215	148.6 Å²	148.6	94%	0.935	79%	0.786	S	S	*	*			cis	99.9	127	16.2	-147.4	-171.1	-171.8	-166.8	0	114.8
364	G	27.9	Very low	28.2	Very low	56 Å²	56	144.8 Å²	144.8	58%	0.577	78%	0.781	S	S	*	*			trans	106.6	127.3	-168.6	0	0	0	0	0	110.6
365	D	28	Very low	28.9	Very low	146 Å²	146	145.7 Å²	145.7	78%	0.781	78%	0.784	S	S	*	*			cis	65.6	137.7	33.6	-46.9	-59.4	0	0	0	111.9
366	Y	31.1	Very low	28.9	Very low	213 Å²	213	146.4 Å²	146.4	84%	0.835	78%	0.783	S	S	*	*			cis	-161.3	170.1	31.8	36.3	-100.9	0	0	0	113.2
367	E	28.1	Very low	29	Very low	149 Å²	149	148.6 Å²	148.6	70%	0.696	79%	0.787	S	S	*	*			trans	20.3	162.6	151.9	-70.5	-155.7	116.5	0	0	125
368	R	27.1	Very low	28.9	Very low	201 Å²	201	145 Å²	145	76%	0.758	78%	0.781	S	S	*	*			cis	175.2	161.1	-26.6	-170.3	179.5	171.8	-173	1.4	110.5
369	S	27.4	Very low	28.8	Very low	91 Å²	91	143 Å²	143	64%	0.636	78%	0.78	S	S	*	*			trans	89.1	151	140	-120.4	0	0	0	0	123
370	L	28.4	Very low	28.8	Very low	133 Å²	133	138 Å²	138	70%	0.696	78%	0.775	S	S	*	*			trans	78.4	115.5	167.3	-56.1	172.6	0	0	0	116.4
371	R	27.7	Very low	28.6	Very low	216 Å²	216	139 Å²	139	82%	0.815	78%	0.775	S	S	*	*				78.1	144.5	80.4	-74.8	-171.9	-161.9	-179.9	3.2	112.6
372	D	24.6	Very low	28.7	Very low	129 Å²	129	135.1 Å²	135.1	69%	0.69	76%	0.76	S	S	*	*			cis	-154.2	-169.6	10.4	-138.2	-46.3	0	0	0	113
373	E	25.5	Very low	28.7	Very low	175 Å²	175	141.5 Å²	141.5	82%	0.818	76%	0.763	S	S	*	*			trans	80	154.3	156.4	-77.1	-173.7	95.5	0	0	122.9
374	S	28.3	Very low	28.7	Very low	112 Å²	112	137.8 Å²	137.8	78%	0.783	75%	0.753	S	S	*	*			trans	-162.5	147	173.7	-66.4	0	0	0	0	107.4
375	P	42.3	Very low	28.8	Very low	120 Å²	120	146.1 Å²	146.1	78%	0.779	77%	0.767	S	S	*	*				-156.4	148.2	103.4	37.6	-18.6	0	0	0	118.7
376	Q	28.5	Very low	28.6	Very low	180 Å²	180	142.4 Å²	142.4	84%	0.841	76%	0.763	S	S	*	*			trans	25	168.9	134.3	-56.8	-165.1	-0.8	0	0	126
377	V	30.5	Very low	30.1	Very low	137 Å²	137	138 Å²	138	83%	0.83	76%	0.76	S	S	*	*			trans	92.8	139.6	154.2	-171.1	0	0	0	0	117
378	A	26.6	Very low	30.1	Very low	95 Å²	95	139 Å²	139	79%	0.785	77%	0.769	S	S	*	*			cis	-171.5	172.7	-33	0	0	0	0	0	110.8
379	G	27.3	Very low	30.1	Very low	84 Å²	84	138 Å²	138	87%	0.866	77%	0.77	S	S	*	*			trans	102.5	149	165.6	0	0	0	0	0	115.9
380	G	27.8	Very low	30.2	Very low	68 Å²	68	141.1 Å²	141.1	70%	0.701	78%	0.779	S	S	*	*			cis	176.4	158.7	-6.7	0	0	0	0	0	113.3
381	D	27.2	Very low	30.9	Very low	153 Å²	153	139.9 Å²	139.9	82%	0.818	78%	0.779	S	S	*	*			trans	68.1	164.3	157.6	-63.5	-46.4	0	0	0	123.1
382	T	30.4	Very low	31.2	Very low	93 Å²	93	137.7 Å²	137.7	57%	0.571	78%	0.778	S	S	*	*				-163.7	143.3	-75	28.2	0	0	0	0	113.2
383	Y	28.4	Very low	31.5	Very low	205 Å²	205	136.8 Å²	136.8	80%	0.804	78%	0.782	S	S	*	*			trans	62.8	162.8	150.4	-62.5	-38.8	0	0	0	120.5
384	L	30.8	Very low	31.8	Very low	138 Å²	138	136.4 Å²	136.4	72%	0.723	78%	0.78	S	S	*	*			cis	-163	166.5	-11.1	-116.6	172.7	0	0	0	113.9
385	R	29.7	Very low	31.8	Very low	231 Å²	231	138 Å²	138	87%	0.872	79%	0.785	S	S	*	*			trans	75.2	139.8	154.9	-74.7	-173.3	-179.5	-167.2	0.8	123.8
386	G	23.9	Very low	31	Very low	68 Å²	68	141.6 Å²	141.6	70%	0.701	79%	0.789	S	S	*	*			trans	-114.9	-136.8	151.8	0	0	0	0	0	109.4
387	P	61.2	Low	32.7	Very low	121 Å²	121	138.7 Å²	138.7	79%	0.786	79%	0.785	S	S	*	*			cis	-136	-167.3	-15	43.9	-26.5	0	0	0	113.6
388	L	27.7	Very low	33.7	Very low	169 Å²	169	138 Å²	138	89%	0.885	78%	0.783	S	S	*	*			trans	176.1	-172.5	141.8	-95.8	162.8	0	0	0	115.4
389	K	28.5	Very low	34	Very low	179 Å²	179	136.2 Å²	136.2	78%	0.778	77%	0.774	S	S	*	*			trans	-133	148.4	-156.5	-52	171.8	177.7	175.8	0	117.5
390	L	29.6	Very low	34.2	Very low	158 Å²	158	143.1 Å²	143.1	83%	0.827	78%	0.776	S	S	*	*			trans	52.4	173.9	139.7	-74.9	162.8	0	0	0	120.6
391	P	42.6	Very low	35.5	Very low	107 Å²	107	145 Å²	145	70%	0.695	78%	0.775	S	S	*	*			cis	-139.2	165.3	3.4	43.2	-24.9	0	0	0	120.1
392	Q	33.3	Very low	37.2	Very low	169 Å²	169	143.4 Å²	143.4	79%	0.79	77%	0.774	S	S	*	*			trans	51.1	156.9	136.4	-70	-175.6	-21.1	0	0	128.6
393	S	30.6	Very low	37.4	Very low	110 Å²	110	142.9 Å²	142.9	77%	0.769	78%	0.779	S	S	*	*			trans	103.4	152.4	152.4	78.6	0	0	0	0	118.8
394	H	32.9	Very low	37.5	Very low	167 Å²	167	141.7 Å²	141.7	77%	0.773	78%	0.78	S	S	*	*			cis	-174.8	142.9	-34.6	-106.3	-62.7	0	0	0	111
395	T	27.9	Very low	37.8	Very low	146 Å²	146	141.3 Å²	141.3	90%	0.896	78%	0.778	S	S	*	*			trans	178.9	167.9	147.5	20.1	0	0	0	0	115.6
396	K	26.1	Very low	38.8	Very low	196 Å²	196	136 Å²	136	85%	0.852	77%	0.774	S	S	*	*			trans	-162.9	-174.1	-177.3	-79	-172	175.2	-177.6	0	109.3
397	P	63.7	Low	39.1	Very low	119 Å²	119	142.2 Å²	142.2	77%	0.773	78%	0.777	S	S	*	*			cis	-119.1	-116.1	-15.6	35.7	-14.5	0	0	0	111.1
398	P	52.3	Low	39.1	Very low	121 Å²	121	142.1 Å²	142.1	79%	0.786	78%	0.777	S	S	*	*				-114	-166.2	-60.3	38.6	-21.3	0	0	0	113.3
399	G	31.5	Very low	40.3	Very low	58 Å²	58	140 Å²	140	60%	0.598	77%	0.773	S	S	*	*			cis	148.6	114.5	-23.5	0	0	0	0	0	119
400	Y	31.8	Very low	40.5	Very low	230 Å²	230	138.9 Å²	138.9	90%	0.902	77%	0.772	S	S	*	*			trans	77.8	169.6	146	-68.4	-88.4	0	0	0	121.6
401	P	56.3	Low	40.6	Very low	106 Å²	106	139.3 Å²	139.3	69%	0.688	77%	0.768	S	S	*	*				-144.6	-136.8	-66.7	46.4	-26.3	0	0	0	112.6
402	P	63	Low	40	Very low	121 Å²	121	142.5 Å²	142.5	79%	0.786	77%	0.773	S	S	*	*			cis	-118.8	-165	-40.9	40.4	-23.1	0	0	0	111.8
403	A	32.9	Very low	39.9	Very low	82 Å²	82	142.9 Å²	142.9	68%	0.678	77%	0.774	S	S	*	*			cis	-146.4	-141.1	15.4	0	0	0	0	0	110.9
404	H	31.2	Very low	39.8	Very low	179 Å²	179	149 Å²	149	83%	0.829	78%	0.783	S	S	*	*			cis	-156.5	-161	2.9	-138.2	-48.9	0	0	0	112.5
405	L	37.9	Very low	39.8	Very low	130 Å²	130	150.3 Å²	150.3	68%	0.681	79%	0.786	S	S	*	*			trans	-158.4	173.3	-167.3	-90.1	173.9	0	0	0	110.9	Y407	L405-Y407 HydrophobicContact CD2-CE2 4.29Å
406	P	50.9	Low	40.8	Very low	119 Å²	119	149.2 Å²	149.2	77%	0.773	78%	0.781	S	S	*	*			cis	-148.9	-167.1	33.5	44.3	-21.2	0	0	0	120.2
407	Y	28.8	Very low	40.9	Very low	200 Å²	200	145.6 Å²	145.6	78%	0.784	78%	0.781	S	S	*	*			trans	-70.9	-171.3	179.7	-62.9	-94.1	0	0	0	115.6	L405	L405-Y407 HydrophobicContact CD2-CE2 4.29Å
408	P	60.6	Low	40.4	Very low	118 Å²	118	144.8 Å²	144.8	77%	0.766	78%	0.775	S	S	*	*			cis	-131.2	-146.4	7.4	42.5	-19.4	0	0	0	112.9
409	P	54.5	Low	39.3	Very low	124 Å²	124	150.3 Å²	150.3	81%	0.805	78%	0.782	S	S	*	*			cis	-130.6	-138.8	-5.2	42.6	-20.5	0	0	0	115.9
410	M	31.1	Very low	39.4	Very low	156 Å²	156	156.2 Å²	156.2	77%	0.768	79%	0.794	S	S	*	*			trans	-161.1	167	-160.1	-98.8	-74.3	-163.4	0	0	116.7
411	F	31.8	Very low	39.6	Very low	168 Å²	168	153.5 Å²	153.5	74%	0.737	79%	0.789	S	S	*	*			trans	68.9	159.5	164.9	-64.6	-64.8	0	0	0	119.2
412	H	30.4	Very low	39.4	Very low	173 Å²	173	154 Å²	154	80%	0.801	79%	0.793	S	S	*	*			cis	-144.5	177.5	14.1	-102.6	-53.4	0	0	0	114.1
413	H	31.6	Very low	39.1	Very low	177 Å²	177	153.6 Å²	153.6	82%	0.819	79%	0.79	S	S	*	*			trans	-92.7	161.4	166.7	-76.3	17.3	0	0	0	112.8
414	Y	29.7	Very low	39	Very low	240 Å²	240	155.8 Å²	155.8	94%	0.941	80%	0.8	S	S	*	*			trans	-162.6	-179.4	135.3	-113.9	-73.2	0	0	0	113.5
415	K	31.4	Very low	39.2	Very low	193 Å²	193	156 Å²	156	84%	0.839	80%	0.801	S	S	*	*			trans	-107.7	162.9	-164.7	-79.2	-176.3	175.4	-179.5	0	115.1
416	P	49.1	Very low	39.8	Very low	123 Å²	123	154.7 Å²	154.7	80%	0.799	80%	0.801	S	S	*	*			trans	-100.6	165.9	179.8	39.8	-36.3	0	0	0	115.7
417	S	29.4	Very low	38.8	Very low	121 Å²	121	154.8 Å²	154.8	85%	0.846	80%	0.804	S	S	*	*			trans	-167.3	176.9	164.2	-117.5	0	0	0	0	111.8
418	P	52.2	Low	39.9	Very low	101 Å²	101	151 Å²	151	66%	0.656	80%	0.804	S	S	*	*			trans	-129	-175.3	-134.2	45.5	-31.1	0	0	0	117
419	Y	28.6	Very low	39.7	Very low	237 Å²	237	150.1 Å²	150.1	93%	0.929	80%	0.798	S	S	*	*			trans	-147.9	176.7	163	-87.5	-65.4	0	0	0	113.8
420	H	33.7	Very low	38.6	Very low	183 Å²	183	154.9 Å²	154.9	85%	0.847	80%	0.802	S	S	*	*			trans	-114.7	173.4	-153.5	-90.8	-56.7	0	0	0	118.4
421	H	36.2	Very low	38.7	Very low	173 Å²	173	153.6 Å²	153.6	80%	0.801	80%	0.803	S	S	*	*			trans	-65.9	-173.9	171.7	-61.9	-58.1	0	0	0	114.3
422	P	53.3	Low	39.6	Very low	117 Å²	117	150.8 Å²	150.8	76%	0.76	80%	0.802	S	S	*	*			cis	-149.2	-142	21.3	48	-24.8	0	0	0	114.6
423	P	56.8	Low	39.6	Very low	111 Å²	111	152.1 Å²	152.1	72%	0.721	81%	0.808	S	S	*	*			cis	-130.3	168.2	-32.4	37	-21.1	0	0	0	115.8
424	S	30.8	Very low	39.5	Very low	128 Å²	128	147.7 Å²	147.7	90%	0.895	81%	0.811	S	S	*	*			trans	174.8	172	138.3	40	0	0	0	0	114
425	Q	34.1	Very low	39.5	Very low	184 Å²	184	139.9 Å²	139.9	86%	0.86	80%	0.796	S	S	*	*			trans	-157.2	-176.2	-162.6	-113.4	-168.4	8.5	0	0	110.5
426	P	51.3	Low	39.5	Very low	103 Å²	103	141.6 Å²	141.6	67%	0.669	80%	0.799	S	S	*	*			cis	-137.4	-175.1	-29.4	38.5	-20.7	0	0	0	114.1
427	S	29.5	Very low	38.7	Very low	121 Å²	121	141.4 Å²	141.4	85%	0.846	80%	0.801	S	S	*	*			trans	-163.7	149.3	155	-80.3	0	0	0	0	113.9
428	P	52.3	Low	39	Very low	121 Å²	121	143.7 Å²	143.7	79%	0.786	80%	0.798	S	S	*	*			trans	-132.4	-156.2	-170.9	38.6	-15.1	0	0	0	114.5
429	P	55.1	Low	38.6	Very low	99 Å²	99	144.1 Å²	144.1	64%	0.643	80%	0.801	S	S	*	*				-142.7	-176.1	-74.2	46.1	-29.8	0	0	0	117.9
430	Y	31.3	Very low	38.6	Very low	223 Å²	223	137.8 Å²	137.8	88%	0.875	79%	0.791	S	S	*	*			trans	71.7	172.4	151	-74	-60	0	0	0	123
431	T	34.1	Very low	38.5	Very low	129 Å²	129	134.7 Å²	134.7	79%	0.791	79%	0.79	S	S	*	*			trans	-155	-165.9	-165.8	58.2	0	0	0	0	109.1
432	P	50.3	Low	39	Very low	110 Å²	110	132.2 Å²	132.2	71%	0.714	79%	0.789	S	S	*	*			cis	-143.3	-158.1	1.7	43.9	-21.7	0	0	0	116.6
433	Q	30.8	Very low	37.9	Very low	200 Å²	200	136.7 Å²	136.7	94%	0.935	79%	0.792	S	S	*	*			trans	74.3	148	164	-75.4	-174.5	-5.4	0	0	121.2
434	G	30.6	Very low	37.2	Very low	85 Å²	85	138.4 Å²	138.4	88%	0.876	79%	0.794	S	S	*	*			trans	147.8	137.1	169.1	0	0	0	0	0	114.5
435	A	28.7	Very low	37.7	Very low	76 Å²	76	137.1 Å²	137.1	63%	0.628	78%	0.783	S	S	*	*			trans	-120.6	175.2	-167.8	0	0	0	0	0	115.9
436	Y	32	Very low	38	Very low	228 Å²	228	134.3 Å²	134.3	89%	0.894	78%	0.78	S	S	*	*			trans	74.1	143.7	176	-41.8	-73.5	0	0	0	115.1
437	S	32.6	Very low	37.8	Very low	120 Å²	120	133 Å²	133	84%	0.839	79%	0.785	S	S	*	*			cis	-142.2	167.1	12.8	-64.1	0	0	0	0	113.3
438	Q	34.2	Very low	38.6	Very low	168 Å²	168	131.4 Å²	131.4	79%	0.785	78%	0.78	S	S	*	*			trans	-101.7	157.9	172.8	-95.2	-77.8	-23.8	0	0	110.3
439	P	43.8	Very low	37.8	Very low	111 Å²	111	136.2 Å²	136.2	72%	0.721	78%	0.784	S	S	*	*				-154.8	156.6	74	41.3	-20.5	0	0	0	120.6
440	S	29.2	Very low	37.6	Very low	103 Å²	103	137 Å²	137	72%	0.72	79%	0.789	S	S	*	*			trans	75.9	99.3	141.4	-64.6	0	0	0	0	122.2
441	S	32.2	Very low	38.4	Very low	118 Å²	118	131.7 Å²	131.7	83%	0.825	78%	0.781	S	S	*	*			trans	-157	159	132.6	-89.2	0	0	0	0	111.8
442	P	45.2	Very low	38.7	Very low	122 Å²	122	130.5 Å²	130.5	79%	0.792	78%	0.776	S	S	*	*			trans	-77.9	151.6	-156.2	-18.8	33.8	0	0	0	116.6
443	Y	30.4	Very low	37.9	Very low	210 Å²	210	131 Å²	131	82%	0.824	78%	0.782	S	S	*	*			trans	-89	133.8	172.5	-159	-93.8	0	0	0	110.5
444	I	42.9	Very low	38.4	Very low	147 Å²	147	132.7 Å²	132.7	75%	0.754	78%	0.78	S	S	*	*			trans	-115.1	132.5	173.5	-63	179.5	0	0	0	107.8
445	P	41.5	Very low	38.5	Very low	101 Å²	101	132 Å²	132	66%	0.656	77%	0.772	S	S	*	*			trans	-70	143.2	-171.7	27.4	-35.5	0	0	0	113.1	G447	P445-G447 VanDerWaalsContact C-N 3.33Å; P445-G447 PolarHBondContact O-N 2.86Å
446	P	39.5	Very low	38.7	Very low	125 Å²	125	133.2 Å²	133.2	81%	0.812	78%	0.777	S	S	*	*	S	Bend	trans	-75.6	80.8	177	32	-35.2	0	0	0	111.1
447	G	48.8	Very low	38.7	Very low	75 Å²	75	128.1 Å²	128.1	77%	0.773	77%	0.774	S	S	*	*			trans	-152.2	-1.1	-176.6	0	0	0	0	0	117.3	P445	P445-G447 VanDerWaalsContact C-N 3.33Å; P445-G447 PolarHBondContact O-N 2.86Å
448	A	44.6	Very low	38.9	Very low	88 Å²	88	126.6 Å²	126.6	73%	0.727	76%	0.764	S	S	*	*			trans	-145.4	87.9	-175.6	0	0	0	0	0	113.3
449	Y	37.3	Very low	39.3	Very low	223 Å²	223	125.4 Å²	125.4	88%	0.875	76%	0.763	S	S	*	*			trans	-131.8	125.3	157.2	-77.2	-78.8	0	0	0	108.5
450	P	49.2	Very low	39.1	Very low	115 Å²	115	126.2 Å²	126.2	75%	0.747	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-67.2	139	167.1	29.4	-32.6	0	0	0	109
451	P	49.5	Very low	39.5	Very low	111 Å²	111	128.2 Å²	128.2	72%	0.721	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-64.8	146.6	174.9	28.3	-34.4	0	0	0	110.1	S453	P451-S453 PolarHBondContact O-N 3.37Å; P451-S453 VanDerWaalsContact O-N 3.14Å
452	P	39.8	Very low	40	Very low	104 Å²	104	128.1 Å²	128.1	68%	0.675	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-59.9	121	174.5	25.3	-33.3	0	0	0	109.5	W454	P452-W454 PolarHBondContact O-N 3.09Å
453	S	33.9	Very low	40.3	Very low	121 Å²	121	127.4 Å²	127.4	85%	0.846	76%	0.758	S	S	*	*			trans	-72.1	92.3	-177.4	44.6	0	0	0	0	110.8	P451 G455	P451-S453 PolarHBondContact O-N 3.37Å; P451-S453 VanDerWaalsContact O-N 3.14Å; S453-G455 PolarHBondContact O-N 3.36Å
454	W	40.5	Very low	42.3	Very low	236 Å²	236	129.3 Å²	129.3	89%	0.894	76%	0.764	S	S	*	*			trans	-67.4	75.5	166.5	-75.2	85.5	0	0	0	110.1	P452 S456	P452-W454 PolarHBondContact O-N 3.09Å; W454-S456 PolarHBondContact O-N 2.97Å
455	G	33.2	Very low	44.2	Very low	69 Å²	69	126 Å²	126	71%	0.711	75%	0.75	S	S	*	*			trans	-67.2	93.8	178.3	0	0	0	0	0	110.9	S453 S457	S453-G455 PolarHBondContact O-N 3.36Å; G455-S457 PolarHBondContact O-N 2.82Å
456	S	32	Very low	46.6	Very low	103 Å²	103	123.3 Å²	123.3	72%	0.72	73%	0.734	S	S	*	*			trans	18.7	95.9	162.7	-161.1	0	0	0	0	115.6	W454 S458	W454-S456 PolarHBondContact O-N 2.97Å; S456-S458 PolarHBondContact O-N 2.97Å
457	S	32	Very low	49.1	Very low	120 Å²	120	119.4 Å²	119.4	84%	0.839	70%	0.704	S	S	*	*			trans	-67.1	80.4	170	-56.1	0	0	0	0	110.8	G455 D459	G455-S457 PolarHBondContact O-N 2.82Å; S457-D459 PolarHBondContact O-N 2.97Å
458	S	37.3	Very low	51.2	Low	89 Å²	89	123 Å²	123	62%	0.622	70%	0.701	S	S	*	*			trans	-70.8	109.7	174	47.6	0	0	0	0	110.6	S456 T460	S456-S458 PolarHBondContact O-N 2.97Å; S458-T460 WeakPolarHBondContact O-CG2 3.45Å; S458-T460 PolarHBondContact O-N 2.98Å
459	D	43.5	Very low	53.6	Low	143 Å²	143	124.2 Å²	124.2	77%	0.765	69%	0.692	S	S	*	*			trans	11.2	75.7	155.9	-169.6	23	0	0	0	115.1	S457 Q461	S457-D459 PolarHBondContact O-N 2.97Å; D459-Q461 VanDerWaalsContact C-N 3.34Å; D459-Q461 PolarHBondContact O-N 3.03Å
460	T	38.2	Very low	56.3	Low	128 Å²	128	114.1 Å²	114.1	79%	0.785	65%	0.652	S	S	*	*			trans	-77.9	86.2	-173	53.5	0	0	0	0	110.7	S458	S458-T460 WeakPolarHBondContact O-CG2 3.45Å; S458-T460 PolarHBondContact O-N 2.98Å
461	Q	38.6	Very low	58.5	Low	145 Å²	145	111.7 Å²	111.7	68%	0.678	63%	0.629	S	S	*	*			trans	-42.7	137.8	145	-69.2	-66.9	-35.7	0	0	108.8	D459 S463	D459-Q461 VanDerWaalsContact C-N 3.34Å; D459-Q461 PolarHBondContact O-N 3.03Å; Q461-S463 PolarHBondContact O-N 3.14Å
462	P	42.8	Very low	60.6	Low	116 Å²	116	109 Å²	109	75%	0.753	62%	0.615	S	S	*	*			trans	-55.5	115.1	-175	22	-33.1	0	0	0	109.8	R464	P462-R464 PolarHBondContact O-N 2.63Å
463	S	50.2	Low	63.3	Low	106 Å²	106	106 Å²	106	74%	0.741	60%	0.599	S	S	*	*			trans	-64.2	124.5	-165.8	52.1	0	0	0	0	110.3	Q461 V465	Q461-S463 PolarHBondContact O-N 3.14Å; S463-V465 PolarHBondContact O-N 2.87Å
464	R	72.3	Confident	66.1	Low	251 Å²	251	100.2 Å²	100.2	95%	0.947	56%	0.559	S	S	*	*			trans	-67.9	102.6	-179.4	-160.1	177	-169.2	-177.2	2.2	107.5	P462 S466	P462-R464 PolarHBondContact O-N 2.63Å; R464-S466 PolarHBondContact O-N 3.13Å
465	V	83.4	Confident	68.8	Low	77 Å²	77	93 Å²	93	47%	0.467	54%	0.535	S	S	.	.			trans	-35.6	131.4	-175.3	-176.2	0	0	0	0	111.3	S463 Q469 F470 R526	S463-V465 PolarHBondContact O-N 2.87Å; V465-Q469 HydrophobicContact CG1-CB 3.55Å; V465-F470 HydrophobicContact CG1-CB 4.13Å; V465-R526 PolarHBondContact O-NH2 3.22Å
466	S	92.2	Very high	71.7	Confident	44 Å²	44	97.1 Å²	97.1	31%	0.308	54%	0.54	S	S	.	.			trans	-65	165	-178.6	90	0	0	0	0	111.7	R464 E468 Q469 F470 R526	R464-S466 PolarHBondContact O-N 3.13Å; S466-E468 VanDerWaalsContact C-N 3.31Å; S466-E468 PolarHBondContact OG-N 3.25Å; S466-Q469 WeakPolarHBondContact OG-CB 3.38Å; S466-Q469 WeakPolarHBondContact OG-CG 3.4Å; S466-Q469 PolarHBondContact OG-N 2.94Å; S466-F470 WeakPolarHBondContact O-CB 3.38Å; S466-F470 PolarHBondContact O-N 3.2Å; S466-F470 VanDerWaalsContact O-N 3.08Å; S466-R526 PolarHBondContact O-NH2 3.09Å; S466-R526 VanDerWaalsContact O-NH2 3.14Å
467	H	91.9	Very high	74.7	Confident	43 Å²	43	94 Å²	94	20%	0.199	52%	0.517	C	S	.	.	H	α-helix	trans	-60.9	-43.1	173.1	-176.2	76.7	0	0	0	111.3	F470 R471 R521 D555	H467-F470 PolarHBondContact O-N 2.71Å; H467-R471 WeakPolarHBondContact O-CB 3.14Å; H467-R471 PolarHBondContact O-N 3.07Å; H467-R521 VanDerWaalsContact CE1-CG 3.49Å; H467-R521 WeakPolarHBondContact CE1-CG 3.1Å; H467-R521 PolarHBondContact NE2-NH2 2.89Å; H467-D555 IonicContact CD2-OD1 3.77Å; H467-D555 IonicContact CE1-OD1 2.83Å; H467-D555 IonicContact NE2-OD1 3.93Å; H467-D555 PolarHBondContact NE2-OD1 3.01Å
468	E	93.5	Very high	77.8	Confident	150 Å²	150	89 Å²	89	70%	0.701	48%	0.481	S	S	*	.	H	α-helix	trans	-67.1	-41.9	179.2	-67.9	158.3	-171.8	0	0	112.5	S466 R471 A472	S466-E468 VanDerWaalsContact C-N 3.31Å; S466-E468 PolarHBondContact OG-N 3.25Å; E468-R471 WeakPolarHBondContact O-CB 3.43Å; E468-R471 PolarHBondContact O-N 3.17Å; E468-A472 VanDerWaalsContact O-CB 3.28Å; E468-A472 WeakPolarHBondContact O-CB 3.32Å; E468-A472 PolarHBondContact O-N 2.78Å
469	Q	94.3	Very high	80.6	Confident	114 Å²	114	87.5 Å²	87.5	53%	0.533	47%	0.466	S	S	.	.	H	α-helix	trans	-62.9	-42.8	175.5	-73.8	170.1	-20.4	0	0	111.6	V465 S466 A472 A473	V465-Q469 HydrophobicContact CG1-CB 3.55Å; S466-Q469 WeakPolarHBondContact OG-CB 3.38Å; S466-Q469 WeakPolarHBondContact OG-CG 3.4Å; S466-Q469 PolarHBondContact OG-N 2.94Å; Q469-A472 PolarHBondContact O-N 3.01Å; Q469-A473 WeakPolarHBondContact O-CB 3.34Å; Q469-A473 PolarHBondContact O-N 2.8Å
470	F	93.8	Very high	83.1	Confident	11 Å²	11	86 Å²	86	5%	0.048	46%	0.464	C	S	.	.	H	α-helix	trans	-67.5	-41.8	175.9	171.4	-99.7	0	0	0	112.1	V465 S466 H467 A473 L474 L520 R526 L529 F530	V465-F470 HydrophobicContact CG1-CB 4.13Å; S466-F470 WeakPolarHBondContact O-CB 3.38Å; S466-F470 PolarHBondContact O-N 3.2Å; S466-F470 VanDerWaalsContact O-N 3.08Å; H467-F470 PolarHBondContact O-N 2.71Å; F470-A473 PolarHBondContact O-N 3.33Å; F470-L474 HydrophobicContact CD1-CD1 4.34Å; F470-L474 HydrophobicContact CE1-CD1 3.51Å; F470-L474 HydrophobicContact CE1-CG 4.4Å; F470-L474 HydrophobicContact CE2-CD1 4.3Å; F470-L474 HydrophobicContact CE2-CG 4.45Å; F470-L474 HydrophobicContact CZ-CD1 3.46Å; F470-L474 VanDerWaalsContact CZ-CD1 3.46Å; F470-L474 HydrophobicContact CZ-CG 4.07Å; F470-L474 PolarHBondContact O-N 3.41Å; F470-L520 HydrophobicContact CD1-CD2 4.29Å; F470-L520 HydrophobicContact CE1-CB 4.4Å; F470-L520 HydrophobicContact CE1-CD2 3.98Å; F470-L520 HydrophobicContact CE1-CG 3.96Å; F470-R526 VanDerWaalsContact CD1-CD 3.48Å; F470-R526 HydrophobicContact CD1-CG 4.05Å; F470-R526 HydrophobicContact CD2-CG 4.17Å; F470-R526 HydrophobicContact CE1-CB 3.82Å; F470-R526 HydrophobicContact CE1-CG 3.72Å; F470-R526 HydrophobicContact CE2-CB 4.36Å; F470-R526 HydrophobicContact CE2-CG 3.86Å; F470-R526 WeakPolarHBondContact CE2-O 3.34Å; F470-R526 HydrophobicContact CG-CG 4.27Å; F470-R526 VanDerWaalsContact CG-NE 3.26Å; F470-R526 HydrophobicContact CZ-CB 3.72Å; F470-R526 HydrophobicContact CZ-CG 3.64Å; F470-R526 WeakPolarHBondContact CZ-O 3.47Å; F470-L529 HydrophobicContact CE1-CD1 4.42Å; F470-L529 HydrophobicContact CZ-CB 4.5Å; F470-L529 HydrophobicContact CZ-CD1 4.25Å; F470-F530 HydrophobicContact CD2-CE2 4.06Å; F470-F530 HydrophobicContact CE2-CD2 4.17Å; F470-F530 AromaticContact CE2-CE2 3.59Å; F470-F530 HydrophobicContact CE2-CE2 3.59Å; F470-F530 HydrophobicContact CE2-CZ 4.45Å; F470-F530 HydrophobicContact CZ-CE2 4.49Å
471	R	95.4	Very high	85.9	Confident	65 Å²	65	82.5 Å²	82.5	25%	0.245	45%	0.453	C	S	.	.	H	α-helix	trans	-58.6	-47.2	173.5	-176.8	-166.4	175.4	72.4	21.1	111.3	H467 E468 L474 Q475 L520 L552 G554 D555	H467-R471 WeakPolarHBondContact O-CB 3.14Å; H467-R471 PolarHBondContact O-N 3.07Å; E468-R471 WeakPolarHBondContact O-CB 3.43Å; E468-R471 PolarHBondContact O-N 3.17Å; R471-L474 PolarHBondContact O-N 2.88Å; R471-Q475 PolarHBondContact O-N 3.31Å; R471-L520 HydrophobicContact CB-CD2 4.47Å; R471-L520 HydrophobicContact CG-CD2 4.49Å; R471-L552 HydrophobicContact CG-CD2 3.74Å; R471-G554 VanDerWaalsContact CZ-O 3.23Å; R471-G554 PolarHBondContact NH1-O 3.49Å; R471-G554 PolarHBondContact NH2-O 2.77Å; R471-D555 IonicContact CZ-OD1 3.94Å; R471-D555 IonicContact NH1-OD1 3.85Å; R471-D555 PolarHBondContact NH1-OD1 3.3Å
472	A	94.8	Very high	88.7	Confident	54 Å²	54	77.2 Å²	77.2	45%	0.446	43%	0.43	S	S	.	.	H	α-helix	trans	-64.2	-39.7	177.7	0	0	0	0	0	111.8	E468 Q469 Q475 L476	E468-A472 VanDerWaalsContact O-CB 3.28Å; E468-A472 WeakPolarHBondContact O-CB 3.32Å; E468-A472 PolarHBondContact O-N 2.78Å; Q469-A472 PolarHBondContact O-N 3.01Å; A472-Q475 WeakPolarHBondContact O-CB 3.48Å; A472-Q475 PolarHBondContact O-N 2.88Å; A472-L476 PolarHBondContact O-N 3.02Å
473	A	95	Very high	91.3	Very high	40 Å²	40	71.7 Å²	71.7	33%	0.331	39%	0.394	S	S	.	.	H	α-helix	trans	-64.7	-38	174.4	0	0	0	0	0	112.7	Q469 F470 L476 F530	Q469-A473 WeakPolarHBondContact O-CB 3.34Å; Q469-A473 PolarHBondContact O-N 2.8Å; F470-A473 PolarHBondContact O-N 3.33Å; A473-L476 PolarHBondContact O-N 3.11Å; A473-F530 HydrophobicContact CB-CZ 3.85Å
474	L	94.2	Very high	93.6	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-66	-38.2	170.7	-87.3	174.3	0	0	0	112.2	F470 R471 L476 V477 V478 L520 L529 F530	F470-L474 HydrophobicContact CD1-CD1 4.34Å; F470-L474 HydrophobicContact CE1-CD1 3.51Å; F470-L474 HydrophobicContact CE1-CG 4.4Å; F470-L474 HydrophobicContact CE2-CD1 4.3Å; F470-L474 HydrophobicContact CE2-CG 4.45Å; F470-L474 HydrophobicContact CZ-CD1 3.46Å; F470-L474 VanDerWaalsContact CZ-CD1 3.46Å; F470-L474 HydrophobicContact CZ-CG 4.07Å; F470-L474 PolarHBondContact O-N 3.41Å; R471-L474 PolarHBondContact O-N 2.88Å; L474-L476 PolarHBondContact O-N 2.56Å; L474-L476 VanDerWaalsContact O-N 3.12Å; L474-V477 HydrophobicContact CD2-CG2 4.19Å; L474-V477 VanDerWaalsContact O-CG2 3.27Å; L474-V477 WeakPolarHBondContact O-CG2 3.38Å; L474-V477 PolarHBondContact O-N 2.92Å; L474-V478 PolarHBondContact O-N 3.44Å; L474-L520 HydrophobicContact CD1-CD1 4.37Å; L474-L520 HydrophobicContact CD1-CD2 3.78Å; L474-L520 HydrophobicContact CD1-CG 3.99Å; L474-L529 HydrophobicContact CD1-CB 4.4Å; L474-L529 HydrophobicContact CD1-CD1 4.23Å; L474-L529 HydrophobicContact CD2-CB 4.49Å; L474-F530 HydrophobicContact CD2-CD1 3.82Å; L474-F530 HydrophobicContact CD2-CD2 4.41Å; L474-F530 HydrophobicContact CD2-CE1 3.73Å; L474-F530 HydrophobicContact CD2-CE2 4.34Å; L474-F530 HydrophobicContact CD2-CG 4.16Å; L474-F530 HydrophobicContact CD2-CZ 3.99Å; L474-F530 HydrophobicContact CG-CE1 4.08Å; L474-F530 HydrophobicContact CG-CE2 4.28Å; L474-F530 HydrophobicContact CG-CZ 3.89Å
475	Q	95.6	Very high	94.8	Very high	84 Å²	84	67.8 Å²	67.8	39%	0.393	37%	0.369	S	S	.	.	H	α-helix	trans	-60.5	-22	179.1	-172.1	58.7	84.6	0	0	113.3	R471 A472 L552	R471-Q475 PolarHBondContact O-N 3.31Å; A472-Q475 WeakPolarHBondContact O-CB 3.48Å; A472-Q475 PolarHBondContact O-N 2.88Å; Q475-L552 HydrophobicContact CB-CD2 4.16Å
476	L	94.4	Very high	95.4	Very high	156 Å²	156	66.8 Å²	66.8	82%	0.817	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-13.1	176.3	-64.6	173.1	0	0	0	114.6	A472 A473 L474	A472-L476 PolarHBondContact O-N 3.02Å; A473-L476 PolarHBondContact O-N 3.11Å; L474-L476 PolarHBondContact O-N 2.56Å; L474-L476 VanDerWaalsContact O-N 3.12Å
477	V	94.8	Very high	95.7	Very high	39 Å²	39	64.8 Å²	64.8	24%	0.236	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-17.4	-178.3	-58.3	0	0	0	0	114.4	L474 F530 V533	L474-V477 HydrophobicContact CD2-CG2 4.19Å; L474-V477 VanDerWaalsContact O-CG2 3.27Å; L474-V477 WeakPolarHBondContact O-CG2 3.38Å; L474-V477 PolarHBondContact O-N 2.92Å; V477-F530 HydrophobicContact CG1-CD1 4.36Å; V477-F530 HydrophobicContact CG1-CE1 4.21Å; V477-F530 HydrophobicContact CG2-CD1 3.87Å; V477-F530 HydrophobicContact CG2-CE1 3.87Å; V477-V533 HydrophobicContact CB-CG1 4.4Å; V477-V533 HydrophobicContact CG2-CG1 4.14Å
478	V	96.8	Very high	96	Very high	13 Å²	13	65.3 Å²	65.3	8%	0.079	35%	0.347	C	S	.	.	S	Bend	trans	-89	163.9	177	-59.7	0	0	0	0	111.9	L474 V533 L552 L557	L474-V478 PolarHBondContact O-N 3.44Å; V478-V533 HydrophobicContact CG1-CG2 4.25Å; V478-L552 HydrophobicContact CG2-CB 4.18Å; V478-L557 HydrophobicContact CG1-CD1 3.63Å
479	N	97.6	Very high	96.1	Very high	59 Å²	59	63.4 Å²	63.4	32%	0.316	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-68.5	146.3	170	-56.9	104.8	0	0	0	111	N549 S550 Y551	N479-N549 WeakPolarHBondContact OD1-CA 3.36Å; N479-N549 WeakPolarHBondContact OD1-CB 3.48Å; N479-N549 PolarHBondContact OD1-ND2 2.85Å; N479-S550 WeakPolarHBondContact CA-O 3.46Å; N479-S550 VanDerWaalsContact CB-O 3.25Å; N479-S550 WeakPolarHBondContact CB-O 3.27Å; N479-S550 PolarHBondContact N-O 3.19Å; N479-S550 PolarHBondContact OD1-N 2.89Å; N479-S550 PolarHBondContact OD1-O 2.58Å; N479-Y551 HydrophobicContact CB-CD1 4.03Å; N479-Y551 HydrophobicContact CB-CE1 3.67Å
480	P	96.4	Very high	96.3	Very high	111 Å²	111	61.1 Å²	61.1	72%	0.721	33%	0.33	S	S	*	.	S	Bend	trans	-74.8	162.1	169	33.3	-35.7	0	0	0	111.6	Y551	P480-Y551 WeakPolarHBondContact O-CE1 3.47Å
481	G	96.3	Very high	96.5	Very high	54 Å²	54	65.8 Å²	65.8	56%	0.557	36%	0.355	S	S	*	.	S	Bend	trans	95.1	-175.2	-179.3	0	0	0	0	0	113.5
482	D	97.4	Very high	96.5	Very high	35 Å²	35	67.8 Å²	67.8	19%	0.187	37%	0.365	C	S	.	.			trans	-123.1	121.9	-178.7	-167.3	-43.5	0	0	0	110.9	R484 E485	D482-R484 PolarHBondContact O-N 3.08Å; D482-R484 VanDerWaalsContact O-N 3.08Å; D482-R484 WeakPolarHBondContact OD1-CB 3.43Å; D482-R484 WeakPolarHBondContact OD1-CG 3.47Å; D482-R484 IonicContact OD1-CZ 3.66Å; D482-R484 PolarHBondContact OD1-N 3.39Å; D482-R484 IonicContact OD1-NE 3.21Å; D482-R484 PolarHBondContact OD1-NE 2.93Å; D482-R484 IonicContact OD1-NH2 2.76Å; D482-R484 IonicContact OD2-CZ 3.22Å; D482-R484 VanDerWaalsContact OD2-CZ 3.24Å; D482-R484 IonicContact OD2-NE 2.63Å; D482-R484 PolarHBondContact OD2-NE 3.18Å; D482-R484 IonicContact OD2-NH2 3.68Å; D482-R484 PolarHBondContact OD2-NH2 3.49Å; D482-E485 HydrophobicContact CB-CG 4.27Å; D482-E485 VanDerWaalsContact O-CB 3.3Å; D482-E485 WeakPolarHBondContact O-CB 3.44Å; D482-E485 WeakPolarHBondContact O-CG 3.47Å; D482-E485 PolarHBondContact O-N 3.36Å
483	P	97.6	Very high	96.3	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-16.3	-178.1	27.2	-33.9	0	0	0	113.3	E485 Y486 L487 Y551 V553 W558	P483-E485 PolarHBondContact O-N 3.36Å; P483-Y486 HydrophobicContact CB-CE1 3.97Å; P483-Y486 PolarHBondContact O-N 2.97Å; P483-L487 HydrophobicContact CB-CD1 4.21Å; P483-L487 VanDerWaalsContact O-CB 3.25Å; P483-L487 WeakPolarHBondContact O-CB 3.4Å; P483-L487 WeakPolarHBondContact O-CG 3.4Å; P483-L487 PolarHBondContact O-N 3.45Å; P483-Y551 HydrophobicContact CB-CD2 3.72Å; P483-Y551 HydrophobicContact CB-CE2 3.87Å; P483-Y551 HydrophobicContact CB-CG 4.27Å; P483-Y551 HydrophobicContact CG-CD2 3.74Å; P483-Y551 HydrophobicContact CG-CE2 4.39Å; P483-Y551 HydrophobicContact CG-CG 3.94Å; P483-V553 HydrophobicContact CG-CG2 3.73Å; P483-W558 HydrophobicContact CB-CE3 4.43Å; P483-W558 HydrophobicContact CG-CD2 4.33Å; P483-W558 HydrophobicContact CG-CE3 3.51Å; P483-W558 HydrophobicContact CG-CZ3 3.99Å
484	R	97.5	Very high	96	Very high	131 Å²	131	68 Å²	68	49%	0.494	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.8	174.1	-57.8	174.7	-71.1	177.8	1.3	112.7	D482 F490 K507 W558	D482-R484 PolarHBondContact O-N 3.08Å; D482-R484 VanDerWaalsContact O-N 3.08Å; D482-R484 WeakPolarHBondContact OD1-CB 3.43Å; D482-R484 WeakPolarHBondContact OD1-CG 3.47Å; D482-R484 IonicContact OD1-CZ 3.66Å; D482-R484 PolarHBondContact OD1-N 3.39Å; D482-R484 IonicContact OD1-NE 3.21Å; D482-R484 PolarHBondContact OD1-NE 2.93Å; D482-R484 IonicContact OD1-NH2 2.76Å; D482-R484 IonicContact OD2-CZ 3.22Å; D482-R484 VanDerWaalsContact OD2-CZ 3.24Å; D482-R484 IonicContact OD2-NE 2.63Å; D482-R484 PolarHBondContact OD2-NE 3.18Å; D482-R484 IonicContact OD2-NH2 3.68Å; D482-R484 PolarHBondContact OD2-NH2 3.49Å; R484-F490 HydrophobicContact CG-CE2 4.38Å; R484-F490 HydrophobicContact CG-CZ 4.46Å; R484-K507 PolarHBondContact O-NZ 2.77Å; R484-W558 HydrophobicContact CG-CH2 3.77Å; R484-W558 HydrophobicContact CG-CZ3 3.8Å
485	E	97.6	Very high	95.7	Very high	144 Å²	144	73.4 Å²	73.4	67%	0.673	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-40.4	173	-67.5	172.2	-167.7	0	0	111.3	D482 P483 K507	D482-E485 HydrophobicContact CB-CG 4.27Å; D482-E485 VanDerWaalsContact O-CB 3.3Å; D482-E485 WeakPolarHBondContact O-CB 3.44Å; D482-E485 WeakPolarHBondContact O-CG 3.47Å; D482-E485 PolarHBondContact O-N 3.36Å; P483-E485 PolarHBondContact O-N 3.36Å; E485-K507 WeakPolarHBondContact O-CD 3.24Å; E485-K507 PolarHBondContact O-NZ 2.88Å
486	Y	97.4	Very high	94.8	Very high	55 Å²	55	70.4 Å²	70.4	22%	0.216	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-11.3	-176.6	76.2	-88	0	0	0	115.4	P483 K507 Y551	P483-Y486 HydrophobicContact CB-CE1 3.97Å; P483-Y486 PolarHBondContact O-N 2.97Å; Y486-K507 WeakPolarHBondContact O-CB 3.47Å; Y486-K507 WeakPolarHBondContact O-CG 3.44Å; Y486-K507 PolarHBondContact O-N 2.66Å; Y486-Y551 HydrophobicContact CE1-CE2 4.16Å; Y486-Y551 AromaticContact CE1-CZ 3.91Å; Y486-Y551 WeakPolarHBondContact CE1-OH 3.25Å; Y486-Y551 WeakPolarHBondContact OH-CE2 3.48Å; Y486-Y551 PolarHBondContact OH-OH 2.74Å
487	L	98.1	Very high	94.1	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.016	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	146.7	173.2	-57.9	-177.4	0	0	0	112.5	P483 F490 A504 S505 E506 K507 V513 V515 V560	P483-L487 HydrophobicContact CB-CD1 4.21Å; P483-L487 VanDerWaalsContact O-CB 3.25Å; P483-L487 WeakPolarHBondContact O-CB 3.4Å; P483-L487 WeakPolarHBondContact O-CG 3.4Å; P483-L487 PolarHBondContact O-N 3.45Å; L487-F490 HydrophobicContact CB-CE1 4.37Å; L487-F490 HydrophobicContact CB-CE2 4.3Å; L487-F490 HydrophobicContact CB-CZ 3.69Å; L487-F490 HydrophobicContact CD1-CE1 4.43Å; L487-F490 HydrophobicContact CD1-CZ 4.4Å; L487-A504 HydrophobicContact CB-CB 4.39Å; L487-A504 HydrophobicContact CD1-CB 4.39Å; L487-S505 CarbonylContact C-O 3.45Å; L487-S505 VanDerWaalsContact CA-O 3.28Å; L487-S505 WeakPolarHBondContact CA-O 3.31Å; L487-E506 HydrophobicContact CD2-CB 4.4Å; L487-E506 HydrophobicContact CD2-CG 3.84Å; L487-K507 VanDerWaalsContact O-CE 3.23Å; L487-K507 WeakPolarHBondContact O-CE 3.22Å; L487-V513 HydrophobicContact CD1-CG2 3.98Å; L487-V513 HydrophobicContact CD2-CG2 3.78Å; L487-V515 HydrophobicContact CD1-CG2 3.83Å; L487-V560 HydrophobicContact CD1-CG1 4.2Å; L487-V560 HydrophobicContact CD1-CG2 4.12Å
488	D	97.5	Very high	93.6	Very high	54 Å²	54	63.5 Å²	63.5	29%	0.289	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	-168.4	171	66.7	19.4	0	0	0	113.1	F490 A504 S505 K507	D488-F490 VanDerWaalsContact C-N 3.29Å; D488-F490 PolarHBondContact O-N 3.2Å; D488-F490 VanDerWaalsContact O-N 3.15Å; D488-A504 WeakPolarHBondContact O-CA 3.43Å; D488-A504 WeakPolarHBondContact O-CB 3.48Å; D488-S505 PolarHBondContact N-O 2.83Å; D488-S505 PolarHBondContact O-N 2.95Å; D488-K507 HydrophobicContact CB-CG 4.22Å
489	N	96.6	Very high	93.2	Very high	109 Å²	109	63.7 Å²	63.7	58%	0.583	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.5	40.3	172.9	-68	-60.1	0	0	0	114.9	I491	N489-I491 PolarHBondContact O-N 3.09Å
490	F	97.8	Very high	93	Very high	66 Å²	66	63.4 Å²	63.4	29%	0.289	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	101.1	179.9	-66.8	-84.1	0	0	0	112.9	R484 L487 D488 C502 I503 A504 V515 W558	R484-F490 HydrophobicContact CG-CE2 4.38Å; R484-F490 HydrophobicContact CG-CZ 4.46Å; L487-F490 HydrophobicContact CB-CE1 4.37Å; L487-F490 HydrophobicContact CB-CE2 4.3Å; L487-F490 HydrophobicContact CB-CZ 3.69Å; L487-F490 HydrophobicContact CD1-CE1 4.43Å; L487-F490 HydrophobicContact CD1-CZ 4.4Å; D488-F490 VanDerWaalsContact C-N 3.29Å; D488-F490 PolarHBondContact O-N 3.2Å; D488-F490 VanDerWaalsContact O-N 3.15Å; F490-C502 HydrophobicContact CD1-CB 4.31Å; F490-I503 WeakPolarHBondContact CA-O 3.47Å; F490-A504 HydrophobicContact CD1-CB 3.68Å; F490-A504 HydrophobicContact CE1-CB 3.72Å; F490-A504 HydrophobicContact CG-CB 4.32Å; F490-A504 HydrophobicContact CZ-CB 4.36Å; F490-V515 HydrophobicContact CE1-CB 4.47Å; F490-V515 HydrophobicContact CE1-CG1 4.45Å; F490-V515 HydrophobicContact CE1-CG2 4.15Å; F490-W558 HydrophobicContact CD1-CZ3 4.47Å; F490-W558 HydrophobicContact CE1-CE3 4.29Å; F490-W558 HydrophobicContact CE1-CH2 4.29Å; F490-W558 AromaticContact CE1-CZ3 3.6Å; F490-W558 HydrophobicContact CE1-CZ3 3.6Å; F490-W558 HydrophobicContact CE2-CZ3 4.4Å; F490-W558 HydrophobicContact CZ-CH2 4.24Å; F490-W558 AromaticContact CZ-CZ3 3.57Å; F490-W558 HydrophobicContact CZ-CZ3 3.57Å
491	I	97.2	Very high	93	Very high	110 Å²	110	59.4 Å²	59.4	56%	0.564	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.9	175.4	-63.4	163.6	0	0	0	108.4	N489 I493 C502 I503	N489-I491 PolarHBondContact O-N 3.09Å; I491-I493 PolarHBondContact O-N 3.41Å; I491-C502 CarbonylContact O-C 3.51Å; I491-C502 WeakPolarHBondContact O-CA 3.1Å; I491-C502 WeakPolarHBondContact O-CB 3.16Å; I491-I503 HydrophobicContact CB-CG2 3.82Å; I491-I503 HydrophobicContact CG2-CG2 4.48Å; I491-I503 PolarHBondContact N-O 2.77Å; I491-I503 PolarHBondContact O-N 2.78Å
492	K	96.1	Very high	93	Very high	107 Å²	107	57.2 Å²	57.2	47%	0.465	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	123.6	176.4	-177.1	-179.4	174.3	-178.9	0	110.3	G494 E495 I500	K492-G494 VanDerWaalsContact CE-O 3.25Å; K492-G494 WeakPolarHBondContact CE-O 3.44Å; K492-E495 IonicContact NZ-OE2 3.41Å; K492-E495 PolarHBondContact NZ-OE2 2.85Å; K492-I500 HydrophobicContact CD-CB 4.44Å; K492-I500 HydrophobicContact CD-CG2 4.32Å
493	I	91.3	Very high	93	Very high	84 Å²	84	56.4 Å²	56.4	43%	0.431	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-21.7	177.1	59.6	170.6	0	0	0	113	I491 V501 I503 F563	I491-I493 PolarHBondContact O-N 3.41Å; I493-V501 HydrophobicContact CD1-CG1 3.98Å; I493-V501 HydrophobicContact CG1-CB 4.24Å; I493-V501 HydrophobicContact CG1-CG1 3.92Å; I493-V501 WeakPolarHBondContact CG1-O 3.27Å; I493-V501 PolarHBondContact N-O 3.21Å; I493-I503 HydrophobicContact CD1-CB 4.35Å; I493-I503 HydrophobicContact CG2-CB 3.98Å; I493-I503 HydrophobicContact CG2-CG2 3.77Å; I493-F563 HydrophobicContact CD1-CD2 4.2Å; I493-F563 HydrophobicContact CD1-CE2 3.79Å
494	G	87.6	Confident	93	Very high	15 Å²	15	56.4 Å²	56.4	16%	0.155	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	170.7	-178	0	0	0	0	0	114.7	K492 V501	K492-G494 VanDerWaalsContact CE-O 3.25Å; K492-G494 WeakPolarHBondContact CE-O 3.44Å; G494-V501 PolarHBondContact N-O 3.1Å; G494-V501 VanDerWaalsContact N-O 3.09Å; G494-V501 PolarHBondContact O-N 2.77Å
495	E	87.3	Confident	93.1	Very high	112 Å²	112	51.4 Å²	51.4	52%	0.523	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	116.6	173.4	-176.5	166.7	-171.4	0	0	110	K492 I500	K492-E495 IonicContact NZ-OE2 3.41Å; K492-E495 PolarHBondContact NZ-OE2 2.85Å; E495-I500 HydrophobicContact CB-CG2 4.46Å; E495-I500 HydrophobicContact CG-CG2 4.17Å
496	G	78.4	Confident	93	Very high	22 Å²	22	45.7 Å²	45.7	23%	0.227	25%	0.245	C	C	.	.			trans	-108.8	-176.3	177.4	0	0	0	0	0	111.8	T498 G499	G496-T498 VanDerWaalsContact C-N 3.27Å; G496-T498 PolarHBondContact O-N 3.5Å; G496-G499 PolarHBondContact N-O 2.88Å; G496-G499 PolarHBondContact O-N 3.48Å
497	S	78.1	Confident	93	Very high	31 Å²	31	48.1 Å²	48.1	22%	0.217	26%	0.256	C	S	.	.	S	Bend	trans	-67.3	-21.8	-177.1	46.2	0	0	0	0	114.8	T110 S112	T110-S497 WeakPolarHBondContact CG2-O 3.46Å; S112-S497 WeakPolarHBondContact OG-CB 3.25Å; S112-S497 PolarHBondContact OG-OG 3.39Å
498	T	84.3	Confident	92.8	Very high	18 Å²	18	54.7 Å²	54.7	11%	0.11	29%	0.287	C	S	.	.	S	Bend	trans	-100.5	-15.3	178.4	57.3	0	0	0	0	114	G496 K516 M518 Q523	G496-T498 VanDerWaalsContact C-N 3.27Å; G496-T498 PolarHBondContact O-N 3.5Å; T498-K516 VanDerWaalsContact OG1-CE 3.31Å; T498-K516 WeakPolarHBondContact OG1-CE 3.39Å; T498-M518 WeakPolarHBondContact O-CB 3.23Å; T498-M518 WeakPolarHBondContact O-CG 3.48Å; T498-Q523 PolarHBondContact O-NE2 2.77Å
499	G	88.5	Confident	92.7	Very high	17 Å²	17	55.2 Å²	55.2	18%	0.175	29%	0.294	C	S	.	.			trans	164.6	-170.9	-176	0	0	0	0	0	115.1	G496 K517	G496-G499 PolarHBondContact N-O 2.88Å; G496-G499 PolarHBondContact O-N 3.48Å; G499-K517 VanDerWaalsContact CA-O 3.29Å; G499-K517 WeakPolarHBondContact CA-O 3.45Å
500	I	93.8	Very high	92.7	Very high	53 Å²	53	52.6 Å²	52.6	27%	0.272	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	151.7	177.6	65.9	178.2	0	0	0	111.1	K492 E495 K516 K517	K492-I500 HydrophobicContact CD-CB 4.44Å; K492-I500 HydrophobicContact CD-CG2 4.32Å; E495-I500 HydrophobicContact CB-CG2 4.46Å; E495-I500 HydrophobicContact CG-CG2 4.17Å; I500-K516 CarbonylContact O-C 3.35Å; I500-K516 WeakPolarHBondContact O-CA 3.49Å; I500-K517 HydrophobicContact CD1-CD 4.46Å; I500-K517 HydrophobicContact CG1-CB 3.91Å; I500-K517 HydrophobicContact CG1-CD 4.5Å; I500-K517 PolarHBondContact N-O 3.4Å; I500-K517 PolarHBondContact O-N 2.7Å
501	V	95.9	Very high	92.5	Very high	28 Å²	28	53.3 Å²	53.3	17%	0.17	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.4	169.6	-173.1	0	0	0	0	108.7	I493 G494 A514 K516 M561	I493-V501 HydrophobicContact CD1-CG1 3.98Å; I493-V501 HydrophobicContact CG1-CB 4.24Å; I493-V501 HydrophobicContact CG1-CG1 3.92Å; I493-V501 WeakPolarHBondContact CG1-O 3.27Å; I493-V501 PolarHBondContact N-O 3.21Å; G494-V501 PolarHBondContact N-O 3.1Å; G494-V501 VanDerWaalsContact N-O 3.09Å; G494-V501 PolarHBondContact O-N 2.77Å; V501-A514 HydrophobicContact CG1-CB 4.38Å; V501-K516 HydrophobicContact CG2-CB 4.47Å; V501-K516 HydrophobicContact CG2-CG 4.25Å; V501-M561 HydrophobicContact CG1-CE 4.09Å
502	C	97.5	Very high	92.6	Very high	7 Å²	7	53 Å²	53	5%	0.047	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	147.3	169.8	-63.1	0	0	0	0	110.3	F490 I491 A514 V515	F490-C502 HydrophobicContact CD1-CB 4.31Å; I491-C502 CarbonylContact O-C 3.51Å; I491-C502 WeakPolarHBondContact O-CA 3.1Å; I491-C502 WeakPolarHBondContact O-CB 3.16Å; C502-A514 CarbonylContact O-C 3.5Å; C502-A514 WeakPolarHBondContact O-CA 3.42Å; C502-V515 PolarHBondContact N-O 3.42Å; C502-V515 PolarHBondContact O-N 3.11Å
503	I	97.3	Very high	92.6	Very high	18 Å²	18	47.9 Å²	47.9	9%	0.092	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	148	151	-165.1	174.2	0	0	0	108.1	F490 I491 I493 Q512 V513 F563	F490-I503 WeakPolarHBondContact CA-O 3.47Å; I491-I503 HydrophobicContact CB-CG2 3.82Å; I491-I503 HydrophobicContact CG2-CG2 4.48Å; I491-I503 PolarHBondContact N-O 2.77Å; I491-I503 PolarHBondContact O-N 2.78Å; I493-I503 HydrophobicContact CD1-CB 4.35Å; I493-I503 HydrophobicContact CG2-CB 3.98Å; I493-I503 HydrophobicContact CG2-CG2 3.77Å; I503-Q512 HydrophobicContact CD1-CB 4.07Å; I503-Q512 HydrophobicContact CD1-CG 4.15Å; I503-Q512 HydrophobicContact CG1-CB 4.26Å; I503-V513 WeakPolarHBondContact CA-O 3.21Å; I503-F563 HydrophobicContact CD1-CD1 3.67Å; I503-F563 HydrophobicContact CD1-CD2 4.12Å; I503-F563 HydrophobicContact CD1-CE1 3.48Å; I503-F563 VanDerWaalsContact CD1-CE1 3.48Å; I503-F563 HydrophobicContact CD1-CE2 3.96Å; I503-F563 HydrophobicContact CD1-CG 3.99Å; I503-F563 HydrophobicContact CD1-CZ 3.65Å; I503-F563 HydrophobicContact CG1-CD1 4.37Å; I503-F563 HydrophobicContact CG1-CD2 4.24Å; I503-F563 HydrophobicContact CG1-CE2 4.42Å; I503-F563 HydrophobicContact CG1-CG 4.23Å
504	A	98.2	Very high	93	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	164.4	174.1	0	0	0	0	0	109.5	L487 D488 F490 Q512 V513 V515	L487-A504 HydrophobicContact CB-CB 4.39Å; L487-A504 HydrophobicContact CD1-CB 4.39Å; D488-A504 WeakPolarHBondContact O-CA 3.43Å; D488-A504 WeakPolarHBondContact O-CB 3.48Å; F490-A504 HydrophobicContact CD1-CB 3.68Å; F490-A504 HydrophobicContact CE1-CB 3.72Å; F490-A504 HydrophobicContact CG-CB 4.32Å; F490-A504 HydrophobicContact CZ-CB 4.36Å; A504-Q512 WeakPolarHBondContact O-CA 3.39Å; A504-V513 HydrophobicContact CB-CG2 4.13Å; A504-V513 PolarHBondContact N-O 3.48Å; A504-V513 PolarHBondContact O-N 2.87Å; A504-V515 HydrophobicContact CB-CG2 3.99Å
505	S	98	Very high	93.4	Very high	25 Å²	25	43.4 Å²	43.4	18%	0.175	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.9	175.2	-65.9	0	0	0	0	111.6	L487 D488 K507 K511	L487-S505 CarbonylContact C-O 3.45Å; L487-S505 VanDerWaalsContact CA-O 3.28Å; L487-S505 WeakPolarHBondContact CA-O 3.31Å; D488-S505 PolarHBondContact N-O 2.83Å; D488-S505 PolarHBondContact O-N 2.95Å; S505-K507 PolarHBondContact O-N 2.68Å; S505-K511 WeakPolarHBondContact CA-O 3.38Å
506	E	97.1	Very high	93.9	Very high	24 Å²	24	38.4 Å²	38.4	11%	0.112	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	117	167.1	-76.9	171.2	-156	0	0	110.3	L487 H508 S509 G510 K511 V513	L487-E506 HydrophobicContact CD2-CB 4.4Å; L487-E506 HydrophobicContact CD2-CG 3.84Å; E506-H508 PolarHBondContact O-N 2.92Å; E506-H508 VanDerWaalsContact O-N 3.1Å; E506-H508 IonicContact OE2-CE1 2.72Å; E506-H508 PolarHBondContact OE2-CE1 2.76Å; E506-H508 VanDerWaalsContact OE2-CE1 3.25Å; E506-H508 IonicContact OE2-NE2 3.39Å; E506-S509 WeakPolarHBondContact CB-OG 3.47Å; E506-S509 PolarHBondContact O-N 2.92Å; E506-S509 PolarHBondContact OE2-OG 2.81Å; E506-G510 WeakPolarHBondContact O-CA 3.43Å; E506-G510 PolarHBondContact O-N 2.92Å; E506-K511 HydrophobicContact CB-CB 4.39Å; E506-K511 PolarHBondContact N-O 3.21Å; E506-K511 WeakPolarHBondContact OE1-CD 3.44Å; E506-K511 IonicContact OE1-NZ 3.96Å; E506-K511 PolarHBondContact OE1-NZ 2.88Å; E506-V513 HydrophobicContact CG-CG1 4.09Å; E506-V513 WeakPolarHBondContact OE1-CG1 3.43Å
507	K	96.6	Very high	94.8	Very high	107 Å²	107	38.3 Å²	38.3	47%	0.465	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.6	-174.4	-69.2	174.8	-168.7	170.2	0	114.7	R484 E485 Y486 L487 D488 S505	R484-K507 PolarHBondContact O-NZ 2.77Å; E485-K507 WeakPolarHBondContact O-CD 3.24Å; E485-K507 PolarHBondContact O-NZ 2.88Å; Y486-K507 WeakPolarHBondContact O-CB 3.47Å; Y486-K507 WeakPolarHBondContact O-CG 3.44Å; Y486-K507 PolarHBondContact O-N 2.66Å; L487-K507 VanDerWaalsContact O-CE 3.23Å; L487-K507 WeakPolarHBondContact O-CE 3.22Å; D488-K507 HydrophobicContact CB-CG 4.22Å; S505-K507 PolarHBondContact O-N 2.68Å
508	H	94.3	Very high	95.6	Very high	140 Å²	140	36.8 Å²	36.8	65%	0.648	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-15	-175.6	58.5	67.5	0	0	0	114.2	E506	E506-H508 PolarHBondContact O-N 2.92Å; E506-H508 VanDerWaalsContact O-N 3.1Å; E506-H508 IonicContact OE2-CE1 2.72Å; E506-H508 PolarHBondContact OE2-CE1 2.76Å; E506-H508 VanDerWaalsContact OE2-CE1 3.25Å; E506-H508 IonicContact OE2-NE2 3.39Å
509	S	95.9	Very high	96.2	Very high	65 Å²	65	37.3 Å²	37.3	46%	0.455	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.7	-17.5	-173.4	62.1	0	0	0	0	113.5	E506 K511	E506-S509 WeakPolarHBondContact CB-OG 3.47Å; E506-S509 PolarHBondContact O-N 2.92Å; E506-S509 PolarHBondContact OE2-OG 2.81Å; S509-K511 PolarHBondContact O-N 2.93Å; S509-K511 VanDerWaalsContact OG-CB 3.27Å; S509-K511 WeakPolarHBondContact OG-CB 3.47Å; S509-K511 PolarHBondContact OG-N 2.89Å; S509-K511 VanDerWaalsContact OG-N 3.14Å
510	G	94.6	Very high	96.5	Very high	55 Å²	55	36.6 Å²	36.6	57%	0.567	20%	0.198	S	C	*	.			trans	69.5	0.5	-168	0	0	0	0	0	114	E506 Q512	E506-G510 WeakPolarHBondContact O-CA 3.43Å; E506-G510 PolarHBondContact O-N 2.92Å; G510-Q512 PolarHBondContact O-N 2.93Å
511	K	95.3	Very high	96.4	Very high	81 Å²	81	41.3 Å²	41.3	35%	0.352	21%	0.212	S	C	.	.			trans	-64.7	132.6	-177.4	172.8	175.4	157.3	-115.5	0	110.5	S505 E506 S509	S505-K511 WeakPolarHBondContact CA-O 3.38Å; E506-K511 HydrophobicContact CB-CB 4.39Å; E506-K511 PolarHBondContact N-O 3.21Å; E506-K511 WeakPolarHBondContact OE1-CD 3.44Å; E506-K511 IonicContact OE1-NZ 3.96Å; E506-K511 PolarHBondContact OE1-NZ 2.88Å; S509-K511 PolarHBondContact O-N 2.93Å; S509-K511 VanDerWaalsContact OG-CB 3.27Å; S509-K511 WeakPolarHBondContact OG-CB 3.47Å; S509-K511 PolarHBondContact OG-N 2.89Å; S509-K511 VanDerWaalsContact OG-N 3.14Å
512	Q	97.6	Very high	96.2	Very high	102 Å²	102	47.2 Å²	47.2	48%	0.477	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	137.6	175.8	-66.5	-173.2	-36.6	0	0	111.2	I503 A504 G510 F563	I503-Q512 HydrophobicContact CD1-CB 4.07Å; I503-Q512 HydrophobicContact CD1-CG 4.15Å; I503-Q512 HydrophobicContact CG1-CB 4.26Å; A504-Q512 WeakPolarHBondContact O-CA 3.39Å; G510-Q512 PolarHBondContact O-N 2.93Å; Q512-F563 HydrophobicContact CB-CB 4.47Å; Q512-F563 HydrophobicContact CB-CD1 4.1Å
513	V	97.9	Very high	95.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	152.2	177.8	-56.9	0	0	0	0	110	L487 I503 A504 E506 V515 Y548 V560	L487-V513 HydrophobicContact CD1-CG2 3.98Å; L487-V513 HydrophobicContact CD2-CG2 3.78Å; I503-V513 WeakPolarHBondContact CA-O 3.21Å; A504-V513 HydrophobicContact CB-CG2 4.13Å; A504-V513 PolarHBondContact N-O 3.48Å; A504-V513 PolarHBondContact O-N 2.87Å; E506-V513 HydrophobicContact CG-CG1 4.09Å; E506-V513 WeakPolarHBondContact OE1-CG1 3.43Å; V513-V515 HydrophobicContact CG2-CG2 4.12Å; V513-Y548 HydrophobicContact CG1-CD2 4.16Å; V513-Y548 HydrophobicContact CG1-CE2 3.9Å; V513-V560 HydrophobicContact CB-CG1 4.12Å; V513-V560 HydrophobicContact CG2-CG1 3.95Å
514	A	97.9	Very high	95.2	Very high	5 Å²	5	53.9 Å²	53.9	4%	0.041	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	141.3	169.9	0	0	0	0	0	110	V501 C502 V560 M561 F563	V501-A514 HydrophobicContact CG1-CB 4.38Å; C502-A514 CarbonylContact O-C 3.5Å; C502-A514 WeakPolarHBondContact O-CA 3.42Å; A514-V560 WeakPolarHBondContact O-CA 3.29Å; A514-M561 HydrophobicContact CB-CE 3.66Å; A514-M561 HydrophobicContact CB-CG 3.77Å; A514-M561 PolarHBondContact N-O 2.85Å; A514-M561 PolarHBondContact O-N 2.87Å; A514-F563 HydrophobicContact CB-CD2 4.48Å
515	V	97.9	Very high	94.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	105.8	-179.1	-172.2	0	0	0	0	109.4	L487 F490 C502 A504 V513 K517 W558 V559 V560	L487-V515 HydrophobicContact CD1-CG2 3.83Å; F490-V515 HydrophobicContact CE1-CB 4.47Å; F490-V515 HydrophobicContact CE1-CG1 4.45Å; F490-V515 HydrophobicContact CE1-CG2 4.15Å; C502-V515 PolarHBondContact N-O 3.42Å; C502-V515 PolarHBondContact O-N 3.11Å; A504-V515 HydrophobicContact CB-CG2 3.99Å; V513-V515 HydrophobicContact CG2-CG2 4.12Å; V515-K517 HydrophobicContact CG1-CG 4Å; V515-W558 HydrophobicContact CG1-CB 4.24Å; V515-W558 HydrophobicContact CG1-CD2 4.21Å; V515-W558 HydrophobicContact CG1-CE3 3.82Å; V515-W558 HydrophobicContact CG1-CG 4.4Å; V515-V559 CarbonylContact C-O 3.58Å; V515-V559 VanDerWaalsContact CA-O 3.31Å; V515-V559 WeakPolarHBondContact CA-O 3.41Å; V515-V560 HydrophobicContact CG1-CG2 4.4Å; V515-V560 HydrophobicContact CG2-CG1 4.46Å; V515-V560 HydrophobicContact CG2-CG2 4.31Å
516	K	96.4	Very high	94.2	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.035	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	114.6	177.3	-171.4	174.5	-175.6	179	0	109.2	T498 I500 V501 M518 E532 W558 V559 M561 D624	T498-K516 VanDerWaalsContact OG1-CE 3.31Å; T498-K516 WeakPolarHBondContact OG1-CE 3.39Å; I500-K516 CarbonylContact O-C 3.35Å; I500-K516 WeakPolarHBondContact O-CA 3.49Å; V501-K516 HydrophobicContact CG2-CB 4.47Å; V501-K516 HydrophobicContact CG2-CG 4.25Å; K516-M518 HydrophobicContact CD-CE 4.34Å; K516-M518 HydrophobicContact CD-SD 4.14Å; K516-M518 HydrophobicContact CG-CE 4.16Å; K516-M518 HydrophobicContact CG-CG 4.15Å; K516-M518 HydrophobicContact CG-SD 4.1Å; K516-E532 VanDerWaalsContact CE-OE1 3.31Å; K516-E532 WeakPolarHBondContact CE-OE1 3.4Å; K516-E532 IonicContact NZ-OE1 2.67Å; K516-E532 PolarHBondContact NZ-OE1 3.05Å; K516-E532 IonicContact NZ-OE2 2.76Å; K516-E532 PolarHBondContact NZ-OE2 3.29Å; K516-W558 WeakPolarHBondContact O-CA 3.46Å; K516-V559 HydrophobicContact CB-CB 4.43Å; K516-V559 PolarHBondContact N-O 3.24Å; K516-V559 PolarHBondContact O-N 2.89Å; K516-M561 HydrophobicContact CB-CE 4.07Å; K516-D624 IonicContact NZ-OD1 3.79Å; K516-D624 PolarHBondContact NZ-OD1 2.84Å
517	K	96.9	Very high	93.8	Very high	19 Å²	19	62.7 Å²	62.7	8%	0.083	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.2	-172.7	-53.5	-178.1	178.3	-170.9	0	110.1	G499 I500 V515 L557 W558	G499-K517 VanDerWaalsContact CA-O 3.29Å; G499-K517 WeakPolarHBondContact CA-O 3.45Å; I500-K517 HydrophobicContact CD1-CD 4.46Å; I500-K517 HydrophobicContact CG1-CB 3.91Å; I500-K517 HydrophobicContact CG1-CD 4.5Å; I500-K517 PolarHBondContact N-O 3.4Å; I500-K517 PolarHBondContact O-N 2.7Å; V515-K517 HydrophobicContact CG1-CG 4Å; K517-L557 WeakPolarHBondContact CA-O 3.33Å; K517-W558 HydrophobicContact CB-CG 4.46Å; K517-W558 HydrophobicContact CD-CD2 3.94Å; K517-W558 HydrophobicContact CD-CE3 4.42Å; K517-W558 HydrophobicContact CD-CG 4.47Å; K517-W558 HydrophobicContact CD-CH2 4.26Å; K517-W558 HydrophobicContact CD-CZ2 3.69Å; K517-W558 HydrophobicContact CG-CD2 3.89Å; K517-W558 HydrophobicContact CG-CG 3.91Å; K517-W558 HydrophobicContact CG-CZ2 4.49Å; K517-W558 VanDerWaalsContact NZ-CZ2 3.34Å
518	M	96.2	Very high	93.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	107.2	-167.1	-61.8	173.2	-80.2	0	0	110.5	T498 K516 L520 L529 E532 E556 L557 V559	T498-M518 WeakPolarHBondContact O-CB 3.23Å; T498-M518 WeakPolarHBondContact O-CG 3.48Å; K516-M518 HydrophobicContact CD-CE 4.34Å; K516-M518 HydrophobicContact CD-SD 4.14Å; K516-M518 HydrophobicContact CG-CE 4.16Å; K516-M518 HydrophobicContact CG-CG 4.15Å; K516-M518 HydrophobicContact CG-SD 4.1Å; M518-L520 PolarHBondContact O-N 3.21Å; M518-L529 HydrophobicContact CB-CD2 3.92Å; M518-L529 HydrophobicContact CG-CD2 4.46Å; M518-L529 HydrophobicContact SD-CD2 3.85Å; M518-E532 HydrophobicContact CE-CB 4.18Å; M518-E532 HydrophobicContact CE-CG 4Å; M518-E532 HydrophobicContact SD-CG 3.93Å; M518-E556 WeakPolarHBondContact O-CA 3.23Å; M518-L557 HydrophobicContact CB-CB 4.49Å; M518-L557 HydrophobicContact CE-CB 4.49Å; M518-L557 HydrophobicContact CE-CD2 3.8Å; M518-L557 HydrophobicContact CE-CG 3.95Å; M518-L557 PolarHBondContact N-O 3.21Å; M518-L557 PolarHBondContact O-N 2.64Å; M518-V559 HydrophobicContact CE-CB 4.33Å; M518-V559 HydrophobicContact CE-CG2 3.68Å
519	D	95.9	Very high	93.4	Very high	29 Å²	29	52.1 Å²	52.1	16%	0.155	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	121.1	178.1	176.4	-43.8	0	0	0	110.8	R521 K522 Q523	D519-R521 PolarHBondContact O-N 3.38Å; D519-R521 WeakPolarHBondContact OD1-CA 3.28Å; D519-R521 WeakPolarHBondContact OD1-CB 3.47Å; D519-R521 PolarHBondContact OD1-N 2.88Å; D519-K522 HydrophobicContact CB-CB 4.08Å; D519-K522 HydrophobicContact CB-CD 4.02Å; D519-K522 HydrophobicContact CB-CG 4.01Å; D519-K522 PolarHBondContact O-N 3.23Å; D519-K522 PolarHBondContact OD1-N 3.17Å; D519-K522 IonicContact OD2-NZ 2.68Å; D519-K522 PolarHBondContact OD2-NZ 3.39Å; D519-Q523 WeakPolarHBondContact O-CG 3.34Å; D519-Q523 PolarHBondContact O-NE2 3.23Å
520	L	94.6	Very high	93.2	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.1	-175.5	-86.8	63.9	0	0	0	113.9	F470 R471 L474 M518 L529 L552 D555 L557	F470-L520 HydrophobicContact CD1-CD2 4.29Å; F470-L520 HydrophobicContact CE1-CB 4.4Å; F470-L520 HydrophobicContact CE1-CD2 3.98Å; F470-L520 HydrophobicContact CE1-CG 3.96Å; R471-L520 HydrophobicContact CB-CD2 4.47Å; R471-L520 HydrophobicContact CG-CD2 4.49Å; L474-L520 HydrophobicContact CD1-CD1 4.37Å; L474-L520 HydrophobicContact CD1-CD2 3.78Å; L474-L520 HydrophobicContact CD1-CG 3.99Å; M518-L520 PolarHBondContact O-N 3.21Å; L520-L529 HydrophobicContact CD1-CD1 4.04Å; L520-L529 HydrophobicContact CG-CD1 3.95Å; L520-L552 HydrophobicContact CD1-CD1 3.95Å; L520-L552 HydrophobicContact CD2-CD1 3.85Å; L520-D555 WeakPolarHBondContact CD1-O 3.35Å; L520-D555 PolarHBondContact N-O 3.25Å; L520-L557 HydrophobicContact CD1-CB 3.89Å
521	R	92	Very high	92.9	Very high	152 Å²	152	50.4 Å²	50.4	57%	0.574	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-28.1	-179.8	-60.8	-171	-179.9	94.9	6.8	112.8	H467 D519 D555	H467-R521 VanDerWaalsContact CE1-CG 3.49Å; H467-R521 WeakPolarHBondContact CE1-CG 3.1Å; H467-R521 PolarHBondContact NE2-NH2 2.89Å; D519-R521 PolarHBondContact O-N 3.38Å; D519-R521 WeakPolarHBondContact OD1-CA 3.28Å; D519-R521 WeakPolarHBondContact OD1-CB 3.47Å; D519-R521 PolarHBondContact OD1-N 2.88Å; R521-D555 VanDerWaalsContact CZ-CG 3.46Å; R521-D555 IonicContact CZ-OD1 3.16Å; R521-D555 IonicContact CZ-OD2 3.93Å; R521-D555 IonicContact NH1-OD1 2.7Å; R521-D555 IonicContact NH1-OD2 2.78Å; R521-D555 PolarHBondContact NH1-OD2 3.08Å; R521-D555 IonicContact NH2-OD1 3.55Å; R521-D555 PolarHBondContact NH2-OD1 3.47Å; R521-D555 IonicContact NH2-OD2 3.01Å; R521-D555 PolarHBondContact NH2-OD2 3.33Å
522	K	91.8	Very high	92.5	Very high	152 Å²	152	46.7 Å²	46.7	66%	0.661	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-16.5	179.3	-67.8	-175.1	-175.8	93.2	0	114	D519 Q524	D519-K522 HydrophobicContact CB-CB 4.08Å; D519-K522 HydrophobicContact CB-CD 4.02Å; D519-K522 HydrophobicContact CB-CG 4.01Å; D519-K522 PolarHBondContact O-N 3.23Å; D519-K522 PolarHBondContact OD1-N 3.17Å; D519-K522 IonicContact OD2-NZ 2.68Å; D519-K522 PolarHBondContact OD2-NZ 3.39Å; K522-Q524 PolarHBondContact O-N 3.04Å
523	Q	88.8	Confident	92.1	Very high	31 Å²	31	41.8 Å²	41.8	15%	0.145	18%	0.183	C	C	.	.			trans	-68	125.5	-178.6	-51.8	-51	-48.1	0	0	112.6	T498 D519 R525 R526 L529	T498-Q523 PolarHBondContact O-NE2 2.77Å; D519-Q523 WeakPolarHBondContact O-CG 3.34Å; D519-Q523 PolarHBondContact O-NE2 3.23Å; Q523-R525 PolarHBondContact O-N 3.15Å; Q523-R526 HydrophobicContact CB-CB 3.77Å; Q523-R526 HydrophobicContact CG-CB 4.2Å; Q523-L529 HydrophobicContact CG-CD1 3.84Å; Q523-L529 HydrophobicContact CG-CD2 4.01Å; Q523-L529 HydrophobicContact CG-CG 3.98Å
524	Q	85.9	Confident	91.9	Very high	134 Å²	134	43.9 Å²	43.9	63%	0.626	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.1	170.2	-62.9	-59.2	-50.5	0	0	112.5	K522	K522-Q524 PolarHBondContact O-N 3.04Å
525	R	85.4	Confident	91.5	Very high	86 Å²	86	44.1 Å²	44.1	33%	0.325	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.6	67.5	-177.7	-68.5	-164.4	63.1	-155.2	-11.6	110.5	Q523 E527 L528	Q523-R525 PolarHBondContact O-N 3.15Å; R525-E527 VanDerWaalsContact CA-OE2 3.26Å; R525-E527 WeakPolarHBondContact CA-OE2 3.49Å; R525-E527 IonicContact CZ-OE1 2.77Å; R525-E527 IonicContact NE-OE1 3.17Å; R525-E527 PolarHBondContact NE-OE1 3.36Å; R525-E527 IonicContact NH2-OE1 3.38Å; R525-E527 PolarHBondContact NH2-OE1 3Å; R525-E527 PolarHBondContact O-N 3Å; R525-L528 HydrophobicContact CB-CD1 3.76Å; R525-L528 HydrophobicContact CB-CG 3.99Å; R525-L528 VanDerWaalsContact O-CB 3.31Å; R525-L528 WeakPolarHBondContact O-CB 3.27Å; R525-L528 WeakPolarHBondContact O-CG 3.41Å; R525-L528 PolarHBondContact O-N 2.97Å
526	R	90.1	Very high	91	Very high	57 Å²	57	44.4 Å²	44.4	22%	0.215	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-54.9	-25.7	-174.9	72.9	-177.1	-166.1	-161.8	-5.2	113.9	V465 S466 F470 Q523 L528 L529	V465-R526 PolarHBondContact O-NH2 3.22Å; S466-R526 PolarHBondContact O-NH2 3.09Å; S466-R526 VanDerWaalsContact O-NH2 3.14Å; F470-R526 VanDerWaalsContact CD1-CD 3.48Å; F470-R526 HydrophobicContact CD1-CG 4.05Å; F470-R526 HydrophobicContact CD2-CG 4.17Å; F470-R526 HydrophobicContact CE1-CB 3.82Å; F470-R526 HydrophobicContact CE1-CG 3.72Å; F470-R526 HydrophobicContact CE2-CB 4.36Å; F470-R526 HydrophobicContact CE2-CG 3.86Å; F470-R526 WeakPolarHBondContact CE2-O 3.34Å; F470-R526 HydrophobicContact CG-CG 4.27Å; F470-R526 VanDerWaalsContact CG-NE 3.26Å; F470-R526 HydrophobicContact CZ-CB 3.72Å; F470-R526 HydrophobicContact CZ-CG 3.64Å; F470-R526 WeakPolarHBondContact CZ-O 3.47Å; Q523-R526 HydrophobicContact CB-CB 3.77Å; Q523-R526 HydrophobicContact CG-CB 4.2Å; R526-L528 PolarHBondContact O-N 3.17Å; R526-L528 VanDerWaalsContact O-N 3.08Å; R526-L529 VanDerWaalsContact O-CB 3.32Å; R526-L529 WeakPolarHBondContact O-CB 3.49Å; R526-L529 WeakPolarHBondContact O-CG 3.25Å; R526-L529 PolarHBondContact O-N 3.21Å
527	E	88.7	Confident	90.8	Very high	93 Å²	93	49.2 Å²	49.2	44%	0.435	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-60.2	-18	175.3	75.2	-78	-173.4	0	0	113.8	R525 L529	R525-E527 VanDerWaalsContact CA-OE2 3.26Å; R525-E527 WeakPolarHBondContact CA-OE2 3.49Å; R525-E527 IonicContact CZ-OE1 2.77Å; R525-E527 IonicContact NE-OE1 3.17Å; R525-E527 PolarHBondContact NE-OE1 3.36Å; R525-E527 IonicContact NH2-OE1 3.38Å; R525-E527 PolarHBondContact NH2-OE1 3Å; R525-E527 PolarHBondContact O-N 3Å; E527-L529 VanDerWaalsContact C-N 3.34Å
528	L	89.9	Confident	90.6	Very high	21 Å²	21	52 Å²	52	11%	0.11	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-77.6	-14.1	174.1	-59.7	-178.9	0	0	0	113.6	R525 R526 F530 N531 G626 F627	R525-L528 HydrophobicContact CB-CD1 3.76Å; R525-L528 HydrophobicContact CB-CG 3.99Å; R525-L528 VanDerWaalsContact O-CB 3.31Å; R525-L528 WeakPolarHBondContact O-CB 3.27Å; R525-L528 WeakPolarHBondContact O-CG 3.41Å; R525-L528 PolarHBondContact O-N 2.97Å; R526-L528 PolarHBondContact O-N 3.17Å; R526-L528 VanDerWaalsContact O-N 3.08Å; L528-F530 PolarHBondContact O-N 2.89Å; L528-N531 VanDerWaalsContact O-CB 3.25Å; L528-N531 WeakPolarHBondContact O-CB 3.31Å; L528-N531 PolarHBondContact O-N 3.35Å; L528-N531 PolarHBondContact O-ND2 2.67Å; L528-G626 WeakPolarHBondContact CB-O 3.36Å; L528-F627 HydrophobicContact CD1-CD1 4.04Å; L528-F627 HydrophobicContact CD1-CE1 4.29Å
529	L	92	Very high	90.5	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.016	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-25	176.4	-69	-178.8	0	0	0	113	F470 L474 M518 L520 Q523 R526 E527 N531 E532 L557	F470-L529 HydrophobicContact CE1-CD1 4.42Å; F470-L529 HydrophobicContact CZ-CB 4.5Å; F470-L529 HydrophobicContact CZ-CD1 4.25Å; L474-L529 HydrophobicContact CD1-CB 4.4Å; L474-L529 HydrophobicContact CD1-CD1 4.23Å; L474-L529 HydrophobicContact CD2-CB 4.49Å; M518-L529 HydrophobicContact CB-CD2 3.92Å; M518-L529 HydrophobicContact CG-CD2 4.46Å; M518-L529 HydrophobicContact SD-CD2 3.85Å; L520-L529 HydrophobicContact CD1-CD1 4.04Å; L520-L529 HydrophobicContact CG-CD1 3.95Å; Q523-L529 HydrophobicContact CG-CD1 3.84Å; Q523-L529 HydrophobicContact CG-CD2 4.01Å; Q523-L529 HydrophobicContact CG-CG 3.98Å; R526-L529 VanDerWaalsContact O-CB 3.32Å; R526-L529 WeakPolarHBondContact O-CB 3.49Å; R526-L529 WeakPolarHBondContact O-CG 3.25Å; R526-L529 PolarHBondContact O-N 3.21Å; E527-L529 VanDerWaalsContact C-N 3.34Å; L529-N531 PolarHBondContact O-N 2.9Å; L529-E532 PolarHBondContact O-N 3.09Å; L529-L557 HydrophobicContact CB-CD2 3.92Å; L529-L557 HydrophobicContact CD2-CD2 4.31Å; L529-L557 HydrophobicContact CG-CD2 4.49Å
530	F	92.2	Very high	90.4	Very high	56 Å²	56	57.1 Å²	57.1	25%	0.246	25%	0.252	C	S	.	.	H	α-helix	trans	-62.1	-27.9	172.1	-75.2	-77.1	0	0	0	112.5	F470 A473 L474 V477 L528 V533 V534	F470-F530 HydrophobicContact CD2-CE2 4.06Å; F470-F530 HydrophobicContact CE2-CD2 4.17Å; F470-F530 AromaticContact CE2-CE2 3.59Å; F470-F530 HydrophobicContact CE2-CE2 3.59Å; F470-F530 HydrophobicContact CE2-CZ 4.45Å; F470-F530 HydrophobicContact CZ-CE2 4.49Å; A473-F530 HydrophobicContact CB-CZ 3.85Å; L474-F530 HydrophobicContact CD2-CD1 3.82Å; L474-F530 HydrophobicContact CD2-CD2 4.41Å; L474-F530 HydrophobicContact CD2-CE1 3.73Å; L474-F530 HydrophobicContact CD2-CE2 4.34Å; L474-F530 HydrophobicContact CD2-CG 4.16Å; L474-F530 HydrophobicContact CD2-CZ 3.99Å; L474-F530 HydrophobicContact CG-CE1 4.08Å; L474-F530 HydrophobicContact CG-CE2 4.28Å; L474-F530 HydrophobicContact CG-CZ 3.89Å; V477-F530 HydrophobicContact CG1-CD1 4.36Å; V477-F530 HydrophobicContact CG1-CE1 4.21Å; V477-F530 HydrophobicContact CG2-CD1 3.87Å; V477-F530 HydrophobicContact CG2-CE1 3.87Å; L528-F530 PolarHBondContact O-N 2.89Å; F530-V533 PolarHBondContact O-N 3.42Å; F530-V534 WeakPolarHBondContact O-CB 3.47Å; F530-V534 VanDerWaalsContact O-CG2 3.3Å; F530-V534 WeakPolarHBondContact O-CG2 3.41Å; F530-V534 PolarHBondContact O-N 3.41Å
531	N	87.4	Confident	90.6	Very high	28 Å²	28	59.3 Å²	59.3	15%	0.15	26%	0.262	C	S	.	.	H	α-helix	trans	-65.8	-45.3	179.8	-65.1	-30.5	0	0	0	111.8	L528 L529 V533 V534 I535 F625 G626 C628	L528-N531 VanDerWaalsContact O-CB 3.25Å; L528-N531 WeakPolarHBondContact O-CB 3.31Å; L528-N531 PolarHBondContact O-N 3.35Å; L528-N531 PolarHBondContact O-ND2 2.67Å; L529-N531 PolarHBondContact O-N 2.9Å; N531-V533 PolarHBondContact O-N 3.1Å; N531-V534 PolarHBondContact O-N 3.27Å; N531-I535 HydrophobicContact CB-CG1 4.28Å; N531-I535 WeakPolarHBondContact O-CB 3.44Å; N531-I535 VanDerWaalsContact O-CG1 3.29Å; N531-I535 WeakPolarHBondContact O-CG1 3.42Å; N531-I535 PolarHBondContact O-N 2.93Å; N531-F625 VanDerWaalsContact CB-O 3.3Å; N531-F625 WeakPolarHBondContact CB-O 3.32Å; N531-G626 PolarHBondContact ND2-O 3.06Å; N531-C628 HydrophobicContact CB-CB 4.38Å; N531-C628 PolarHBondContact ND2-O 3.29Å
532	E	86.2	Confident	90.9	Very high	3 Å²	3	57.5 Å²	57.5	1%	0.014	26%	0.26	C	S	.	.	H	α-helix	trans	-58.3	-35.9	-178.8	-54.4	-86	-154	0	0	111.1	K516 M518 L529 M536 V559 G626	K516-E532 VanDerWaalsContact CE-OE1 3.31Å; K516-E532 WeakPolarHBondContact CE-OE1 3.4Å; K516-E532 IonicContact NZ-OE1 2.67Å; K516-E532 PolarHBondContact NZ-OE1 3.05Å; K516-E532 IonicContact NZ-OE2 2.76Å; K516-E532 PolarHBondContact NZ-OE2 3.29Å; M518-E532 HydrophobicContact CE-CB 4.18Å; M518-E532 HydrophobicContact CE-CG 4Å; M518-E532 HydrophobicContact SD-CG 3.93Å; L529-E532 PolarHBondContact O-N 3.09Å; E532-M536 WeakPolarHBondContact O-CB 3.48Å; E532-M536 WeakPolarHBondContact O-CG 3.45Å; E532-V559 HydrophobicContact CB-CG2 4.29Å; E532-G626 WeakPolarHBondContact OE1-CA 3.39Å; E532-G626 PolarHBondContact OE1-N 3.06Å; E532-G626 PolarHBondContact OE2-N 2.79Å
533	V	91	Very high	91.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-81.8	-50.4	179.1	-179.3	0	0	0	0	112.1	V477 V478 F530 N531 R537 S550 L557 V559	V477-V533 HydrophobicContact CB-CG1 4.4Å; V477-V533 HydrophobicContact CG2-CG1 4.14Å; V478-V533 HydrophobicContact CG1-CG2 4.25Å; F530-V533 PolarHBondContact O-N 3.42Å; N531-V533 PolarHBondContact O-N 3.1Å; V533-R537 WeakPolarHBondContact O-CB 3.29Å; V533-R537 PolarHBondContact O-N 2.93Å; V533-S550 WeakPolarHBondContact CG1-OG 3.49Å; V533-L557 HydrophobicContact CG2-CD1 3.91Å; V533-L557 HydrophobicContact CG2-CD2 3.93Å; V533-V559 HydrophobicContact CG2-CG2 4.47Å
534	V	91.7	Very high	91.6	Very high	44 Å²	44	49 Å²	49	27%	0.267	22%	0.223	S	C	.	.	H	α-helix	trans	-74.7	-44.9	-171.6	175.3	0	0	0	0	111.1	F530 N531 R537 D538	F530-V534 WeakPolarHBondContact O-CB 3.47Å; F530-V534 VanDerWaalsContact O-CG2 3.3Å; F530-V534 WeakPolarHBondContact O-CG2 3.41Å; F530-V534 PolarHBondContact O-N 3.41Å; N531-V534 PolarHBondContact O-N 3.27Å; V534-R537 PolarHBondContact O-N 3.14Å; V534-D538 WeakPolarHBondContact CG1-OD2 3.32Å; V534-D538 VanDerWaalsContact O-CB 3.31Å; V534-D538 WeakPolarHBondContact O-CB 3.45Å; V534-D538 VanDerWaalsContact O-CG 3.29Å; V534-D538 PolarHBondContact O-N 3.01Å
535	I	89.5	Confident	92.1	Very high	9 Å²	9	42.7 Å²	42.7	5%	0.046	19%	0.194	C	C	.	.	H	α-helix	trans	-67.4	-44.8	-176.7	-56.9	-61.9	0	0	0	110.8	N531 R537 Y539 V602 F625 C628	N531-I535 HydrophobicContact CB-CG1 4.28Å; N531-I535 WeakPolarHBondContact O-CB 3.44Å; N531-I535 VanDerWaalsContact O-CG1 3.29Å; N531-I535 WeakPolarHBondContact O-CG1 3.42Å; N531-I535 PolarHBondContact O-N 2.93Å; I535-R537 VanDerWaalsContact C-N 3.27Å; I535-R537 PolarHBondContact O-N 3.12Å; I535-Y539 HydrophobicContact CB-CD2 4.48Å; I535-Y539 HydrophobicContact CD1-CD2 4.23Å; I535-Y539 HydrophobicContact CD1-CE2 3.98Å; I535-Y539 HydrophobicContact CG2-CD2 4Å; I535-Y539 WeakPolarHBondContact O-CB 3.4Å; I535-Y539 WeakPolarHBondContact O-CD2 3.4Å; I535-Y539 PolarHBondContact O-N 3.04Å; I535-Y539 VanDerWaalsContact O-N 3.12Å; I535-V602 HydrophobicContact CD1-CG1 4.21Å; I535-V602 HydrophobicContact CD1-CG2 4.21Å; I535-V602 HydrophobicContact CG2-CG1 4.25Å; I535-F625 HydrophobicContact CB-CB 4.19Å; I535-F625 HydrophobicContact CG2-CB 4.07Å; I535-F625 HydrophobicContact CG2-CD1 3.62Å; I535-F625 HydrophobicContact CG2-CE1 4.42Å; I535-F625 HydrophobicContact CG2-CG 4.01Å; I535-C628 HydrophobicContact CG1-CB 4.05Å
536	M	88.6	Confident	92.6	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.03	19%	0.19	C	C	.	.	H	α-helix	trans	-76.8	-9.9	-178.6	-57	-175.6	72.3	0	0	114.4	E532 V545 M547 M561 F625	E532-M536 WeakPolarHBondContact O-CB 3.48Å; E532-M536 WeakPolarHBondContact O-CG 3.45Å; M536-V545 HydrophobicContact CE-CB 3.93Å; M536-V545 HydrophobicContact CE-CG1 3.69Å; M536-V545 WeakPolarHBondContact CE-O 3.4Å; M536-M547 HydrophobicContact CB-CB 3.64Å; M536-M547 HydrophobicContact CB-SD 4.4Å; M536-M547 HydrophobicContact CE-CB 4.22Å; M536-M561 HydrophobicContact CE-CB 4.5Å; M536-F625 HydrophobicContact CE-CD2 4.18Å; M536-F625 HydrophobicContact CE-CE2 4.37Å; M536-F625 HydrophobicContact CG-CB 4.14Å; M536-F625 HydrophobicContact CG-CD2 3.48Å; M536-F625 VanDerWaalsContact CG-CD2 3.48Å; M536-F625 HydrophobicContact CG-CE2 4.23Å; M536-F625 HydrophobicContact CG-CG 3.98Å; M536-F625 HydrophobicContact SD-CD2 3.78Å
537	R	92.3	Very high	92.9	Very high	109 Å²	109	38.9 Å²	38.9	41%	0.411	18%	0.184	S	C	.	.	H	α-helix	trans	-93.7	-36.6	173.2	-169.9	-169.2	66	-149.4	-10.9	112.4	V533 V534 I535 H540 M547	V533-R537 WeakPolarHBondContact O-CB 3.29Å; V533-R537 PolarHBondContact O-N 2.93Å; V534-R537 PolarHBondContact O-N 3.14Å; I535-R537 VanDerWaalsContact C-N 3.27Å; I535-R537 PolarHBondContact O-N 3.12Å; R537-H540 PolarHBondContact O-NE2 2.98Å; R537-M547 HydrophobicContact CB-CE 3.62Å; R537-M547 HydrophobicContact CG-CE 4.2Å
538	D	92.6	Very high	93.2	Very high	79 Å²	79	38.7 Å²	38.7	42%	0.422	18%	0.18	S	C	.	.	H	α-helix	trans	-97.7	-10.7	-169.8	-59.1	-9.5	0	0	0	112.1	V534	V534-D538 WeakPolarHBondContact CG1-OD2 3.32Å; V534-D538 VanDerWaalsContact O-CB 3.31Å; V534-D538 WeakPolarHBondContact O-CB 3.45Å; V534-D538 VanDerWaalsContact O-CG 3.29Å; V534-D538 PolarHBondContact O-N 3.01Å
539	Y	93.2	Very high	93.5	Very high	39 Å²	39	40 Å²	40	15%	0.153	19%	0.187	C	C	.	.			trans	-132.2	106.4	-179.1	-58.7	-67.1	0	0	0	113.1	I535 Y596 L597 Q600 V602 Q630	I535-Y539 HydrophobicContact CB-CD2 4.48Å; I535-Y539 HydrophobicContact CD1-CD2 4.23Å; I535-Y539 HydrophobicContact CD1-CE2 3.98Å; I535-Y539 HydrophobicContact CG2-CD2 4Å; I535-Y539 WeakPolarHBondContact O-CB 3.4Å; I535-Y539 WeakPolarHBondContact O-CD2 3.4Å; I535-Y539 PolarHBondContact O-N 3.04Å; I535-Y539 VanDerWaalsContact O-N 3.12Å; Y539-Y596 HydrophobicContact CD1-CE1 4.44Å; Y539-L597 HydrophobicContact CG-CD2 4.43Å; Y539-Q600 HydrophobicContact CD1-CB 4.12Å; Y539-Q600 HydrophobicContact CD1-CG 3.95Å; Y539-Q600 HydrophobicContact CE1-CB 3.47Å; Y539-Q600 VanDerWaalsContact CE1-CB 3.47Å; Y539-Q600 HydrophobicContact CE1-CG 3.64Å; Y539-V602 HydrophobicContact CD2-CG2 3.9Å; Y539-V602 HydrophobicContact CE1-CG2 4.37Å; Y539-V602 HydrophobicContact CE2-CG2 3.44Å; Y539-V602 VanDerWaalsContact CE2-CG2 3.44Å; Y539-Q630 PolarHBondContact OH-OE1 3.06Å
540	H	95.4	Very high	93.8	Very high	97 Å²	97	39.9 Å²	39.9	45%	0.449	19%	0.186	S	C	.	.			trans	-111.9	136.9	177.1	-69.5	-84.6	0	0	0	111.8	R537 D546 Y596	R537-H540 PolarHBondContact O-NE2 2.98Å; H540-D546 IonicContact CE1-OD1 2.68Å; H540-D546 IonicContact CG-OD1 3.91Å; H540-D546 IonicContact ND1-OD1 3.87Å; H540-D546 PolarHBondContact ND1-OD1 3.36Å; H540-Y596 PolarHBondContact N-OH 3.09Å; H540-Y596 PolarHBondContact O-OH 2.94Å
541	H	97.9	Very high	94.1	Very high	46 Å²	46	38.2 Å²	38.2	21%	0.213	18%	0.179	C	C	.	.			trans	-159.4	149	-179.3	177.2	-96.4	0	0	0	111.3	N543 V544 Y596	H541-N543 PolarHBondContact CE1-OD1 3.45Å; H541-N543 PolarHBondContact ND1-N 2.99Å; H541-N543 VanDerWaalsContact ND1-N 3.11Å; H541-N543 PolarHBondContact O-N 3.37Å; H541-V544 HydrophobicContact CB-CB 4.13Å; H541-V544 HydrophobicContact CB-CG2 3.96Å; H541-V544 PolarHBondContact O-N 2.96Å; H541-Y596 HydrophobicContact CB-CD1 3.63Å; H541-Y596 HydrophobicContact CB-CE1 3.86Å; H541-Y596 HydrophobicContact CB-CG 4.24Å
542	E	97.6	Very high	94.6	Very high	114 Å²	114	37.7 Å²	37.7	53%	0.533	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-37.1	-176.7	-167.7	-158.9	154.5	0	0	113.5	R592 K621	E542-R592 IonicContact OE2-NH1 3.39Å; E542-K621 WeakPolarHBondContact O-CE 3.41Å; E542-K621 WeakPolarHBondContact O-CG 3.46Å
543	N	98.6	Very high	95.1	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	25.9	179.6	-51.4	117.8	0	0	0	113.7	H541 S589 A593 I620 K621 L622	H541-N543 PolarHBondContact CE1-OD1 3.45Å; H541-N543 PolarHBondContact ND1-N 2.99Å; H541-N543 VanDerWaalsContact ND1-N 3.11Å; H541-N543 PolarHBondContact O-N 3.37Å; N543-S589 VanDerWaalsContact CB-O 3.22Å; N543-S589 WeakPolarHBondContact CB-O 3.05Å; N543-S589 PolarHBondContact ND2-OG 3.33Å; N543-S589 PolarHBondContact OD1-O 3.4Å; N543-A593 HydrophobicContact CB-CB 4.11Å; N543-A593 WeakPolarHBondContact O-CB 3.42Å; N543-I620 WeakPolarHBondContact CA-O 3.46Å; N543-I620 WeakPolarHBondContact CB-O 3.41Å; N543-I620 PolarHBondContact ND2-O 2.97Å; N543-K621 WeakPolarHBondContact O-CA 3.49Å; N543-L622 WeakPolarHBondContact O-CB 3.34Å; N543-L622 PolarHBondContact O-N 3.24Å
544	V	97.7	Very high	95.3	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-120.8	146.3	172.4	163.7	0	0	0	0	109.2	H541 A593 L597 K621 F625	H541-V544 HydrophobicContact CB-CB 4.13Å; H541-V544 HydrophobicContact CB-CG2 3.96Å; H541-V544 PolarHBondContact O-N 2.96Å; V544-A593 HydrophobicContact CG2-CB 3.99Å; V544-L597 HydrophobicContact CG2-CD1 4.49Å; V544-K621 VanDerWaalsContact O-CD 3.23Å; V544-K621 WeakPolarHBondContact O-CD 3.47Å; V544-K621 WeakPolarHBondContact O-CE 3.48Å; V544-K621 PolarHBondContact O-NZ 2.99Å; V544-F625 HydrophobicContact CB-CZ 4.43Å; V544-F625 HydrophobicContact CG1-CE2 4.03Å; V544-F625 HydrophobicContact CG1-CZ 3.67Å; V544-F625 HydrophobicContact CG2-CZ 4.22Å
545	V	96.5	Very high	95.5	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-70	126.4	174.3	174.2	0	0	0	0	110.9	M536 M561 E562 L564 L613 K621 L622	M536-V545 HydrophobicContact CE-CB 3.93Å; M536-V545 HydrophobicContact CE-CG1 3.69Å; M536-V545 WeakPolarHBondContact CE-O 3.4Å; V545-M561 HydrophobicContact CG1-CB 4.09Å; V545-M561 HydrophobicContact CG1-CG 4.29Å; V545-M561 HydrophobicContact CG1-SD 4.33Å; V545-E562 VanDerWaalsContact CA-OE1 3.3Å; V545-E562 WeakPolarHBondContact CA-OE1 3.5Å; V545-E562 HydrophobicContact CG1-CG 4.35Å; V545-L564 HydrophobicContact CG2-CD1 3.76Å; V545-L613 HydrophobicContact CG2-CD1 4.23Å; V545-K621 HydrophobicContact CG2-CB 4.03Å; V545-L622 WeakPolarHBondContact CG2-O 3.32Å; V545-L622 PolarHBondContact N-O 3.47Å
546	D	95.3	Very high	95.9	Very high	44 Å²	44	42.9 Å²	42.9	24%	0.235	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-80.8	121.4	178.6	-72.8	-64.2	0	0	0	111	H540 Y548 M561 E562 K621	H540-D546 IonicContact CE1-OD1 2.68Å; H540-D546 IonicContact CG-OD1 3.91Å; H540-D546 IonicContact ND1-OD1 3.87Å; H540-D546 PolarHBondContact ND1-OD1 3.36Å; D546-Y548 HydrophobicContact CB-CE1 4.49Å; D546-M561 WeakPolarHBondContact O-CA 3.42Å; D546-M561 WeakPolarHBondContact O-CB 3.45Å; D546-E562 PolarHBondContact N-OE1 2.81Å; D546-E562 PolarHBondContact O-N 2.82Å; D546-K621 IonicContact OD2-NZ 2.7Å; D546-K621 PolarHBondContact OD2-NZ 3.35Å
547	M	95.8	Very high	96.3	Very high	18 Å²	18	42.6 Å²	42.6	9%	0.089	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	136.5	164.7	-178	-176.2	72.1	0	0	109.7	M536 R537 V559 V560	M536-M547 HydrophobicContact CB-CB 3.64Å; M536-M547 HydrophobicContact CB-SD 4.4Å; M536-M547 HydrophobicContact CE-CB 4.22Å; R537-M547 HydrophobicContact CB-CE 3.62Å; R537-M547 HydrophobicContact CG-CE 4.2Å; M547-V559 HydrophobicContact CG-CG1 3.83Å; M547-V559 HydrophobicContact SD-CG1 3.74Å; M547-V560 WeakPolarHBondContact CG-O 3.48Å
548	Y	95.7	Very high	96.6	Very high	90 Å²	90	38 Å²	38	35%	0.353	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-49.3	170.9	-54.6	-33.8	0	0	0	111	V513 D546 V560 E562	V513-Y548 HydrophobicContact CG1-CD2 4.16Å; V513-Y548 HydrophobicContact CG1-CE2 3.9Å; D546-Y548 HydrophobicContact CB-CE1 4.49Å; Y548-V560 HydrophobicContact CD2-CG1 4.37Å; Y548-V560 PolarHBondContact N-O 2.9Å; Y548-E562 HydrophobicContact CE1-CB 4.34Å; Y548-E562 HydrophobicContact CE2-CB 4.38Å; Y548-E562 WeakPolarHBondContact OH-CA 3.38Å; Y548-E562 VanDerWaalsContact OH-CB 3.22Å; Y548-E562 WeakPolarHBondContact OH-CB 3.37Å
549	N	96.3	Very high	96.8	Very high	47 Å²	47	34.3 Å²	34.3	25%	0.251	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	163.8	-175.1	-64.7	104.4	0	0	0	111.7	N479 Y551 V560	N479-N549 WeakPolarHBondContact OD1-CA 3.36Å; N479-N549 WeakPolarHBondContact OD1-CB 3.48Å; N479-N549 PolarHBondContact OD1-ND2 2.85Å; N549-Y551 HydrophobicContact CB-CD2 4.3Å; N549-Y551 HydrophobicContact CB-CE2 3.38Å; N549-V560 HydrophobicContact CB-CB 4.43Å; N549-V560 PolarHBondContact N-O 3.04Å; N549-V560 PolarHBondContact O-N 2.77Å
550	S	97.7	Very high	97	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.014	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	148.4	167.8	60.2	0	0	0	0	111.1	N479 V533 W558	N479-S550 WeakPolarHBondContact CA-O 3.46Å; N479-S550 VanDerWaalsContact CB-O 3.25Å; N479-S550 WeakPolarHBondContact CB-O 3.27Å; N479-S550 PolarHBondContact N-O 3.19Å; N479-S550 PolarHBondContact OD1-N 2.89Å; N479-S550 PolarHBondContact OD1-O 2.58Å; V533-S550 WeakPolarHBondContact CG1-OG 3.49Å; S550-W558 CarbonylContact C-O 3.55Å; S550-W558 VanDerWaalsContact CA-O 3.28Å; S550-W558 WeakPolarHBondContact CA-O 3.49Å
551	Y	98.3	Very high	97.1	Very high	20 Å²	20	29 Å²	29	8%	0.078	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	158.4	-173.9	-58.6	-87.7	0	0	0	111.7	N479 P480 P483 Y486 N549 W558 V560	N479-Y551 HydrophobicContact CB-CD1 4.03Å; N479-Y551 HydrophobicContact CB-CE1 3.67Å; P480-Y551 WeakPolarHBondContact O-CE1 3.47Å; P483-Y551 HydrophobicContact CB-CD2 3.72Å; P483-Y551 HydrophobicContact CB-CE2 3.87Å; P483-Y551 HydrophobicContact CB-CG 4.27Å; P483-Y551 HydrophobicContact CG-CD2 3.74Å; P483-Y551 HydrophobicContact CG-CE2 4.39Å; P483-Y551 HydrophobicContact CG-CG 3.94Å; Y486-Y551 HydrophobicContact CE1-CE2 4.16Å; Y486-Y551 AromaticContact CE1-CZ 3.91Å; Y486-Y551 WeakPolarHBondContact CE1-OH 3.25Å; Y486-Y551 WeakPolarHBondContact OH-CE2 3.48Å; Y486-Y551 PolarHBondContact OH-OH 2.74Å; N549-Y551 HydrophobicContact CB-CD2 4.3Å; N549-Y551 HydrophobicContact CB-CE2 3.38Å; Y551-W558 PolarHBondContact N-O 3.06Å; Y551-W558 PolarHBondContact O-N 3.08Å; Y551-V560 HydrophobicContact CD2-CG2 4.2Å; Y551-V560 HydrophobicContact CE2-CG2 4.12Å
552	L	98.1	Very high	97	Very high	17 Å²	17	27.9 Å²	27.9	9%	0.089	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	93.1	176.3	-174	67.6	0	0	0	110.6	R471 Q475 V478 L520 E556	R471-L552 HydrophobicContact CG-CD2 3.74Å; Q475-L552 HydrophobicContact CB-CD2 4.16Å; V478-L552 HydrophobicContact CG2-CB 4.18Å; L520-L552 HydrophobicContact CD1-CD1 3.95Å; L520-L552 HydrophobicContact CD2-CD1 3.85Å; L552-E556 CarbonylContact C-O 3.58Å
553	V	97.6	Very high	97	Very high	12 Å²	12	25 Å²	25	7%	0.073	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	104.9	-171.8	-173.2	0	0	0	0	109.6	P483 D555 E556 W558	P483-V553 HydrophobicContact CG-CG2 3.73Å; V553-D555 PolarHBondContact O-N 2.91Å; V553-E556 PolarHBondContact N-O 2.81Å; V553-E556 PolarHBondContact O-N 3.21Å; V553-E556 VanDerWaalsContact O-N 3.08Å; V553-W558 HydrophobicContact CB-CD2 4.05Å; V553-W558 HydrophobicContact CB-CG 4.15Å; V553-W558 HydrophobicContact CB-CZ2 4.31Å; V553-W558 HydrophobicContact CG1-CH2 4.37Å; V553-W558 HydrophobicContact CG1-CZ2 3.98Å; V553-W558 HydrophobicContact CG2-CB 4.24Å; V553-W558 HydrophobicContact CG2-CD2 3.75Å; V553-W558 HydrophobicContact CG2-CE3 4.1Å; V553-W558 HydrophobicContact CG2-CG 3.83Å
554	G	95.4	Very high	96.9	Very high	48 Å²	48	25.4 Å²	25.4	50%	0.495	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	-138.4	-166.2	0	0	0	0	0	109.8	R471 E556	R471-G554 VanDerWaalsContact CZ-O 3.23Å; R471-G554 PolarHBondContact NH1-O 3.49Å; R471-G554 PolarHBondContact NH2-O 2.77Å; G554-E556 VanDerWaalsContact C-N 3.28Å; G554-E556 PolarHBondContact O-N 3.35Å
555	D	95.7	Very high	96.7	Very high	43 Å²	43	28.6 Å²	28.6	23%	0.23	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	29.5	172.8	-73.3	-68.6	0	0	0	114	H467 R471 L520 R521 V553	H467-D555 IonicContact CD2-OD1 3.77Å; H467-D555 IonicContact CE1-OD1 2.83Å; H467-D555 IonicContact NE2-OD1 3.93Å; H467-D555 PolarHBondContact NE2-OD1 3.01Å; R471-D555 IonicContact CZ-OD1 3.94Å; R471-D555 IonicContact NH1-OD1 3.85Å; R471-D555 PolarHBondContact NH1-OD1 3.3Å; L520-D555 WeakPolarHBondContact CD1-O 3.35Å; L520-D555 PolarHBondContact N-O 3.25Å; R521-D555 VanDerWaalsContact CZ-CG 3.46Å; R521-D555 IonicContact CZ-OD1 3.16Å; R521-D555 IonicContact CZ-OD2 3.93Å; R521-D555 IonicContact NH1-OD1 2.7Å; R521-D555 IonicContact NH1-OD2 2.78Å; R521-D555 PolarHBondContact NH1-OD2 3.08Å; R521-D555 IonicContact NH2-OD1 3.55Å; R521-D555 PolarHBondContact NH2-OD1 3.47Å; R521-D555 IonicContact NH2-OD2 3.01Å; R521-D555 PolarHBondContact NH2-OD2 3.33Å; V553-D555 PolarHBondContact O-N 2.91Å
556	E	97.4	Very high	96.6	Very high	62 Å²	62	29.2 Å²	29.2	29%	0.29	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.1	173	-55.9	-172.5	146.2	0	0	111.5	M518 L552 V553 G554 W558	M518-E556 WeakPolarHBondContact O-CA 3.23Å; L552-E556 CarbonylContact C-O 3.58Å; V553-E556 PolarHBondContact N-O 2.81Å; V553-E556 PolarHBondContact O-N 3.21Å; V553-E556 VanDerWaalsContact O-N 3.08Å; G554-E556 VanDerWaalsContact C-N 3.28Å; G554-E556 PolarHBondContact O-N 3.35Å; E556-W558 PolarHBondContact OE2-NE1 2.93Å
557	L	97.6	Very high	96.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.3	163.1	172.8	64	0	0	0	107.6	V478 K517 M518 L520 L529 V533 V559	V478-L557 HydrophobicContact CG1-CD1 3.63Å; K517-L557 WeakPolarHBondContact CA-O 3.33Å; M518-L557 HydrophobicContact CB-CB 4.49Å; M518-L557 HydrophobicContact CE-CB 4.49Å; M518-L557 HydrophobicContact CE-CD2 3.8Å; M518-L557 HydrophobicContact CE-CG 3.95Å; M518-L557 PolarHBondContact N-O 3.21Å; M518-L557 PolarHBondContact O-N 2.64Å; L520-L557 HydrophobicContact CD1-CB 3.89Å; L529-L557 HydrophobicContact CB-CD2 3.92Å; L529-L557 HydrophobicContact CD2-CD2 4.31Å; L529-L557 HydrophobicContact CG-CD2 4.49Å; V533-L557 HydrophobicContact CG2-CD1 3.91Å; V533-L557 HydrophobicContact CG2-CD2 3.93Å; L557-V559 HydrophobicContact CD2-CG2 4.44Å; L557-V559 HydrophobicContact CG-CG2 4.24Å
558	W	98.1	Very high	96.5	Very high	14 Å²	14	27.8 Å²	27.8	5%	0.053	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.2	174.7	-73.6	28.1	0	0	0	108.6	P483 R484 F490 V515 K516 K517 S550 Y551 V553 E556	P483-W558 HydrophobicContact CB-CE3 4.43Å; P483-W558 HydrophobicContact CG-CD2 4.33Å; P483-W558 HydrophobicContact CG-CE3 3.51Å; P483-W558 HydrophobicContact CG-CZ3 3.99Å; R484-W558 HydrophobicContact CG-CH2 3.77Å; R484-W558 HydrophobicContact CG-CZ3 3.8Å; F490-W558 HydrophobicContact CD1-CZ3 4.47Å; F490-W558 HydrophobicContact CE1-CE3 4.29Å; F490-W558 HydrophobicContact CE1-CH2 4.29Å; F490-W558 AromaticContact CE1-CZ3 3.6Å; F490-W558 HydrophobicContact CE1-CZ3 3.6Å; F490-W558 HydrophobicContact CE2-CZ3 4.4Å; F490-W558 HydrophobicContact CZ-CH2 4.24Å; F490-W558 AromaticContact CZ-CZ3 3.57Å; F490-W558 HydrophobicContact CZ-CZ3 3.57Å; V515-W558 HydrophobicContact CG1-CB 4.24Å; V515-W558 HydrophobicContact CG1-CD2 4.21Å; V515-W558 HydrophobicContact CG1-CE3 3.82Å; V515-W558 HydrophobicContact CG1-CG 4.4Å; K516-W558 WeakPolarHBondContact O-CA 3.46Å; K517-W558 HydrophobicContact CB-CG 4.46Å; K517-W558 HydrophobicContact CD-CD2 3.94Å; K517-W558 HydrophobicContact CD-CE3 4.42Å; K517-W558 HydrophobicContact CD-CG 4.47Å; K517-W558 HydrophobicContact CD-CH2 4.26Å; K517-W558 HydrophobicContact CD-CZ2 3.69Å; K517-W558 HydrophobicContact CG-CD2 3.89Å; K517-W558 HydrophobicContact CG-CG 3.91Å; K517-W558 HydrophobicContact CG-CZ2 4.49Å; K517-W558 VanDerWaalsContact NZ-CZ2 3.34Å; S550-W558 CarbonylContact C-O 3.55Å; S550-W558 VanDerWaalsContact CA-O 3.28Å; S550-W558 WeakPolarHBondContact CA-O 3.49Å; Y551-W558 PolarHBondContact N-O 3.06Å; Y551-W558 PolarHBondContact O-N 3.08Å; V553-W558 HydrophobicContact CB-CD2 4.05Å; V553-W558 HydrophobicContact CB-CG 4.15Å; V553-W558 HydrophobicContact CB-CZ2 4.31Å; V553-W558 HydrophobicContact CG1-CH2 4.37Å; V553-W558 HydrophobicContact CG1-CZ2 3.98Å; V553-W558 HydrophobicContact CG2-CB 4.24Å; V553-W558 HydrophobicContact CG2-CD2 3.75Å; V553-W558 HydrophobicContact CG2-CE3 4.1Å; V553-W558 HydrophobicContact CG2-CG 3.83Å; E556-W558 PolarHBondContact OE2-NE1 2.93Å
559	V	97.6	Very high	96.5	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.9	173.2	174.1	0	0	0	0	108.3	V515 K516 M518 E532 V533 M547 L557	V515-V559 CarbonylContact C-O 3.58Å; V515-V559 VanDerWaalsContact CA-O 3.31Å; V515-V559 WeakPolarHBondContact CA-O 3.41Å; K516-V559 HydrophobicContact CB-CB 4.43Å; K516-V559 PolarHBondContact N-O 3.24Å; K516-V559 PolarHBondContact O-N 2.89Å; M518-V559 HydrophobicContact CE-CB 4.33Å; M518-V559 HydrophobicContact CE-CG2 3.68Å; E532-V559 HydrophobicContact CB-CG2 4.29Å; V533-V559 HydrophobicContact CG2-CG2 4.47Å; M547-V559 HydrophobicContact CG-CG1 3.83Å; M547-V559 HydrophobicContact SD-CG1 3.74Å; L557-V559 HydrophobicContact CD2-CG2 4.44Å; L557-V559 HydrophobicContact CG-CG2 4.24Å
560	V	97.7	Very high	96.4	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.4	179.1	-174	0	0	0	0	108.3	L487 V513 A514 V515 M547 Y548 N549 Y551	L487-V560 HydrophobicContact CD1-CG1 4.2Å; L487-V560 HydrophobicContact CD1-CG2 4.12Å; V513-V560 HydrophobicContact CB-CG1 4.12Å; V513-V560 HydrophobicContact CG2-CG1 3.95Å; A514-V560 WeakPolarHBondContact O-CA 3.29Å; V515-V560 HydrophobicContact CG1-CG2 4.4Å; V515-V560 HydrophobicContact CG2-CG1 4.46Å; V515-V560 HydrophobicContact CG2-CG2 4.31Å; M547-V560 WeakPolarHBondContact CG-O 3.48Å; Y548-V560 HydrophobicContact CD2-CG1 4.37Å; Y548-V560 PolarHBondContact N-O 2.9Å; N549-V560 HydrophobicContact CB-CB 4.43Å; N549-V560 PolarHBondContact N-O 3.04Å; N549-V560 PolarHBondContact O-N 2.77Å; Y551-V560 HydrophobicContact CD2-CG2 4.2Å; Y551-V560 HydrophobicContact CE2-CG2 4.12Å
561	M	96.8	Very high	96.1	Very high	21 Å²	21	24 Å²	24	10%	0.103	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	169.5	-171.8	64.5	-159.3	177.9	0	0	110.8	V501 A514 K516 M536 V545 D546	V501-M561 HydrophobicContact CG1-CE 4.09Å; A514-M561 HydrophobicContact CB-CE 3.66Å; A514-M561 HydrophobicContact CB-CG 3.77Å; A514-M561 PolarHBondContact N-O 2.85Å; A514-M561 PolarHBondContact O-N 2.87Å; K516-M561 HydrophobicContact CB-CE 4.07Å; M536-M561 HydrophobicContact CE-CB 4.5Å; V545-M561 HydrophobicContact CG1-CB 4.09Å; V545-M561 HydrophobicContact CG1-CG 4.29Å; V545-M561 HydrophobicContact CG1-SD 4.33Å; D546-M561 WeakPolarHBondContact O-CA 3.42Å; D546-M561 WeakPolarHBondContact O-CB 3.45Å
562	E	96.1	Very high	95.9	Very high	24 Å²	24	23.2 Å²	23.2	11%	0.112	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	146.9	175.6	87.7	-162	112.6	0	0	111.6	V545 D546 Y548 L564 K621	V545-E562 VanDerWaalsContact CA-OE1 3.3Å; V545-E562 WeakPolarHBondContact CA-OE1 3.5Å; V545-E562 HydrophobicContact CG1-CG 4.35Å; D546-E562 PolarHBondContact N-OE1 2.81Å; D546-E562 PolarHBondContact O-N 2.82Å; Y548-E562 HydrophobicContact CE1-CB 4.34Å; Y548-E562 HydrophobicContact CE2-CB 4.38Å; Y548-E562 WeakPolarHBondContact OH-CA 3.38Å; Y548-E562 VanDerWaalsContact OH-CB 3.22Å; Y548-E562 WeakPolarHBondContact OH-CB 3.37Å; E562-L564 HydrophobicContact CG-CD1 4.38Å; E562-L564 HydrophobicContact CG-CD2 3.82Å; E562-L564 HydrophobicContact CG-CG 3.83Å; E562-K621 VanDerWaalsContact OE1-CD 3.27Å; E562-K621 WeakPolarHBondContact OE1-CD 3.43Å; E562-K621 IonicContact OE1-NZ 2.88Å; E562-K621 PolarHBondContact OE1-NZ 3.4Å; E562-K621 IonicContact OE2-NZ 2.73Å; E562-K621 PolarHBondContact OE2-NZ 2.86Å
563	F	97.1	Very high	95.7	Very high	52 Å²	52	22.8 Å²	22.8	23%	0.228	14%	0.137	C	C	.	.			trans	-91.3	127.6	171	177.5	-122.1	0	0	0	110	I493 I503 Q512 A514 E565	I493-F563 HydrophobicContact CD1-CD2 4.2Å; I493-F563 HydrophobicContact CD1-CE2 3.79Å; I503-F563 HydrophobicContact CD1-CD1 3.67Å; I503-F563 HydrophobicContact CD1-CD2 4.12Å; I503-F563 HydrophobicContact CD1-CE1 3.48Å; I503-F563 VanDerWaalsContact CD1-CE1 3.48Å; I503-F563 HydrophobicContact CD1-CE2 3.96Å; I503-F563 HydrophobicContact CD1-CG 3.99Å; I503-F563 HydrophobicContact CD1-CZ 3.65Å; I503-F563 HydrophobicContact CG1-CD1 4.37Å; I503-F563 HydrophobicContact CG1-CD2 4.24Å; I503-F563 HydrophobicContact CG1-CE2 4.42Å; I503-F563 HydrophobicContact CG1-CG 4.23Å; Q512-F563 HydrophobicContact CB-CB 4.47Å; Q512-F563 HydrophobicContact CB-CD1 4.1Å; A514-F563 HydrophobicContact CB-CD2 4.48Å; F563-E565 HydrophobicContact CD1-CB 4.44Å; F563-E565 HydrophobicContact CD1-CG 3.82Å; F563-E565 HydrophobicContact CE1-CB 3.83Å; F563-E565 HydrophobicContact CE1-CG 3.65Å; F563-E565 HydrophobicContact CZ-CB 4.26Å
564	L	96.3	Very high	95.2	Very high	12 Å²	12	24.4 Å²	24.4	6%	0.063	15%	0.147	C	C	.	.			trans	-111.4	102.4	-179.1	-67	-178.8	0	0	0	109.3	V545 E562 G566 G567 L613 L614 T615 K621	V545-L564 HydrophobicContact CG2-CD1 3.76Å; E562-L564 HydrophobicContact CG-CD1 4.38Å; E562-L564 HydrophobicContact CG-CD2 3.82Å; E562-L564 HydrophobicContact CG-CG 3.83Å; L564-G566 VanDerWaalsContact C-N 3.29Å; L564-G566 PolarHBondContact O-N 3.02Å; L564-G567 PolarHBondContact O-N 2.64Å; L564-L613 HydrophobicContact CB-CB 4.15Å; L564-L613 HydrophobicContact CD1-CB 3.45Å; L564-L613 VanDerWaalsContact CD1-CB 3.45Å; L564-L613 HydrophobicContact CD1-CD1 4.11Å; L564-L613 HydrophobicContact CD1-CG 4.43Å; L564-L613 HydrophobicContact CG-CB 4.44Å; L564-L614 CarbonylContact C-O 3.58Å; L564-L614 WeakPolarHBondContact CB-O 3.17Å; L564-T615 HydrophobicContact CD2-CG2 3.48Å; L564-T615 VanDerWaalsContact CD2-CG2 3.48Å; L564-K621 HydrophobicContact CD1-CB 3.93Å; L564-K621 HydrophobicContact CD1-CD 4.23Å; L564-K621 HydrophobicContact CD2-CD 4.41Å
565	E	94	Very high	94.7	Very high	69 Å²	69	27.3 Å²	27.3	32%	0.322	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-17.1	-162.6	-27.9	91	118.4	0	0	112.7	F563 G567 S616 R755	F563-E565 HydrophobicContact CD1-CB 4.44Å; F563-E565 HydrophobicContact CD1-CG 3.82Å; F563-E565 HydrophobicContact CE1-CB 3.83Å; F563-E565 HydrophobicContact CE1-CG 3.65Å; F563-E565 HydrophobicContact CZ-CB 4.26Å; E565-G567 PolarHBondContact O-N 2.7Å; E565-S616 VanDerWaalsContact CD-CB 3.49Å; E565-S616 VanDerWaalsContact CD-OG 3.28Å; E565-S616 WeakPolarHBondContact OE1-CB 3.46Å; E565-S616 PolarHBondContact OE1-OG 3.32Å; E565-S616 WeakPolarHBondContact OE2-CB 3.48Å; E565-S616 PolarHBondContact OE2-N 2.84Å; E565-S616 PolarHBondContact OE2-OG 2.95Å; E565-R755 PolarHBondContact O-NH2 3.43Å
566	G	93.7	Very high	94.3	Very high	15 Å²	15	26.9 Å²	26.9	16%	0.155	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-13.8	175.2	0	0	0	0	0	114.2	L564 L614 M751	L564-G566 VanDerWaalsContact C-N 3.29Å; L564-G566 PolarHBondContact O-N 3.02Å; G566-L614 WeakPolarHBondContact CA-O 3.4Å; G566-L614 PolarHBondContact N-O 2.88Å; G566-M751 WeakPolarHBondContact CA-SD 3.45Å
567	G	94.1	Very high	93.8	Very high	25 Å²	25	30.3 Å²	30.3	26%	0.258	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	79.3	-159.7	179.9	0	0	0	0	0	113.1	L564 E565 L613 L614	L564-G567 PolarHBondContact O-N 2.64Å; E565-G567 PolarHBondContact O-N 2.7Å; G567-L613 WeakPolarHBondContact O-CA 3.18Å; G567-L614 PolarHBondContact O-N 2.91Å
568	A	94.8	Very high	93.7	Very high	8 Å²	8	30.4 Å²	30.4	7%	0.066	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	149.2	178.7	0	0	0	0	0	111.5	T570 D571 I612 L613	A568-T570 PolarHBondContact O-N 3.25Å; A568-T570 VanDerWaalsContact O-N 3.13Å; A568-D571 PolarHBondContact O-N 2.8Å; A568-D571 VanDerWaalsContact O-N 3.09Å; A568-I612 WeakPolarHBondContact CA-O 3.49Å; A568-L613 HydrophobicContact CB-CD2 3.95Å
569	L	96.8	Very high	93.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.2	-26.1	177	-178.8	63.7	0	0	0	112.3	D571 I572 V573 M578 V586 S609 I612 M670 M674	L569-D571 VanDerWaalsContact C-N 3.27Å; L569-D571 PolarHBondContact O-N 3.06Å; L569-I572 PolarHBondContact O-N 3.48Å; L569-V573 HydrophobicContact CD1-CG2 4.13Å; L569-V573 HydrophobicContact CG-CG2 3.93Å; L569-V573 WeakPolarHBondContact O-CG2 3.44Å; L569-V573 PolarHBondContact O-N 3.42Å; L569-M578 HydrophobicContact CD1-CE 4.22Å; L569-M578 HydrophobicContact CD1-SD 3.98Å; L569-V586 HydrophobicContact CD1-CG2 4.37Å; L569-V586 HydrophobicContact CD2-CG1 3.77Å; L569-S609 WeakPolarHBondContact CB-O 3.29Å; L569-I612 HydrophobicContact CB-CB 3.93Å; L569-I612 HydrophobicContact CB-CG2 4.19Å; L569-I612 HydrophobicContact CD2-CB 4.07Å; L569-I612 HydrophobicContact CD2-CG1 4.32Å; L569-I612 HydrophobicContact CD2-CG2 4.09Å; L569-I612 PolarHBondContact N-O 2.85Å; L569-M670 HydrophobicContact CD2-CE 4.26Å; L569-M674 HydrophobicContact CD2-CG 4.29Å; L569-M674 HydrophobicContact CD2-SD 3.97Å
570	T	94.6	Very high	93.7	Very high	21 Å²	21	34.9 Å²	34.9	13%	0.129	18%	0.18	C	C	.	.	H	α-helix	trans	-55.2	-39.9	174.4	-41.3	0	0	0	0	112.8	A568 I572 V573 T574 S609 D610	A568-T570 PolarHBondContact O-N 3.25Å; A568-T570 VanDerWaalsContact O-N 3.13Å; T570-I572 VanDerWaalsContact C-N 3.28Å; T570-I572 PolarHBondContact O-N 3.49Å; T570-V573 PolarHBondContact O-N 2.78Å; T570-T574 HydrophobicContact CG2-CG2 4.14Å; T570-T574 WeakPolarHBondContact O-CB 3.2Å; T570-T574 VanDerWaalsContact O-CG2 3.3Å; T570-T574 WeakPolarHBondContact O-CG2 3.18Å; T570-T574 PolarHBondContact O-N 3.04Å; T570-T574 PolarHBondContact O-OG1 2.97Å; T570-S609 WeakPolarHBondContact CA-OG 3.3Å; T570-S609 WeakPolarHBondContact CB-OG 3.46Å; T570-S609 PolarHBondContact OG1-OG 2.91Å; T570-D610 WeakPolarHBondContact OG1-CA 3.34Å; T570-D610 PolarHBondContact OG1-N 3.11Å; T570-D610 PolarHBondContact OG1-OD1 2.85Å
571	D	91.3	Very high	93.7	Very high	37 Å²	37	38.4 Å²	38.4	20%	0.198	20%	0.197	C	C	.	.	H	α-helix	trans	-67.6	-31.9	-178	-63.5	-44.7	0	0	0	111.4	A568 L569 H575 Y754	A568-D571 PolarHBondContact O-N 2.8Å; A568-D571 VanDerWaalsContact O-N 3.09Å; L569-D571 VanDerWaalsContact C-N 3.27Å; L569-D571 PolarHBondContact O-N 3.06Å; D571-H575 PolarHBondContact O-ND1 3.41Å; D571-Y754 HydrophobicContact CB-CE1 4.34Å; D571-Y754 HydrophobicContact CB-CE2 4.2Å
572	I	93.6	Very high	93.8	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-73.1	-57.7	171.5	-69	172.2	0	0	0	110.4	L569 T570 T574 H575 T576 M578 L614 L750 M751	L569-I572 PolarHBondContact O-N 3.48Å; T570-I572 VanDerWaalsContact C-N 3.28Å; T570-I572 PolarHBondContact O-N 3.49Å; I572-T574 VanDerWaalsContact C-N 3.25Å; I572-T574 PolarHBondContact O-N 3.27Å; I572-H575 PolarHBondContact O-N 2.64Å; I572-T576 PolarHBondContact O-N 2.68Å; I572-M578 HydrophobicContact CG2-CG 4.21Å; I572-M578 HydrophobicContact CG2-SD 4.32Å; I572-L614 HydrophobicContact CD1-CD1 3.34Å; I572-L750 HydrophobicContact CD1-CB 3.83Å; I572-L750 HydrophobicContact CG1-CB 4.14Å; I572-L750 HydrophobicContact CG2-CB 3.86Å; I572-L750 HydrophobicContact CG2-CD1 3.97Å; I572-L750 HydrophobicContact CG2-CG 4.35Å; I572-M751 HydrophobicContact CD1-CG 3.95Å
573	V	93.3	Very high	93.9	Very high	9 Å²	9	37.3 Å²	37.3	6%	0.055	19%	0.191	C	C	.	.	H	α-helix	trans	-60.1	-35.6	-169.4	168.7	0	0	0	0	112.2	L569 T570 H575 M578 E673 M674	L569-V573 HydrophobicContact CD1-CG2 4.13Å; L569-V573 HydrophobicContact CG-CG2 3.93Å; L569-V573 WeakPolarHBondContact O-CG2 3.44Å; L569-V573 PolarHBondContact O-N 3.42Å; T570-V573 PolarHBondContact O-N 2.78Å; V573-H575 VanDerWaalsContact C-N 3.27Å; V573-H575 PolarHBondContact O-N 2.67Å; V573-M578 HydrophobicContact CG2-SD 3.92Å; V573-E673 HydrophobicContact CG1-CG 3.87Å; V573-E673 WeakPolarHBondContact CG1-O 3.22Å; V573-M674 HydrophobicContact CG2-CB 4.44Å; V573-M674 HydrophobicContact CG2-CG 3.84Å
574	T	88.3	Confident	94	Very high	46 Å²	46	34.8 Å²	34.8	28%	0.282	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.1	179.9	54.9	0	0	0	0	114.4	T570 I572	T570-T574 HydrophobicContact CG2-CG2 4.14Å; T570-T574 WeakPolarHBondContact O-CB 3.2Å; T570-T574 VanDerWaalsContact O-CG2 3.3Å; T570-T574 WeakPolarHBondContact O-CG2 3.18Å; T570-T574 PolarHBondContact O-N 3.04Å; T570-T574 PolarHBondContact O-OG1 2.97Å; I572-T574 VanDerWaalsContact C-N 3.25Å; I572-T574 PolarHBondContact O-N 3.27Å
575	H	83.9	Confident	94.1	Very high	108 Å²	108	34.6 Å²	34.6	50%	0.5	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	-21.4	-176.2	-60.1	101.3	0	0	0	114.9	D571 I572 V573 Y754	D571-H575 PolarHBondContact O-ND1 3.41Å; I572-H575 PolarHBondContact O-N 2.64Å; V573-H575 VanDerWaalsContact C-N 3.27Å; V573-H575 PolarHBondContact O-N 2.67Å; H575-Y754 AromaticContact CE1-CE2 3.95Å; H575-Y754 AromaticContact ND1-CD2 3.94Å; H575-Y754 AromaticContact ND1-CE2 3.79Å
576	T	87.8	Confident	94.4	Very high	35 Å²	35	31.3 Å²	31.3	22%	0.215	16%	0.164	C	C	.	.	S	Bend	trans	-140.2	123.8	-171.8	-52.9	0	0	0	0	111	I572 M578 L750	I572-T576 PolarHBondContact O-N 2.68Å; T576-M578 PolarHBondContact O-N 3.29Å; T576-L750 HydrophobicContact CG2-CD2 3.68Å
577	R	87.5	Confident	94.6	Very high	133 Å²	133	30.6 Å²	30.6	50%	0.502	16%	0.157	S	C	.	.	P	Polyproline II helix	trans	-70.5	123.2	173.3	-174.5	178.2	-172.2	-92.2	0.8	110.3	K706	R577-K706 PolarHBondContact NH2-O 3.13Å
578	M	95.1	Very high	94.8	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.015	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-77.2	153	175.6	-60.9	177.9	67.6	0	0	111.5	L569 I572 V573 T576 Q582 I583 V586 M674 L750	L569-M578 HydrophobicContact CD1-CE 4.22Å; L569-M578 HydrophobicContact CD1-SD 3.98Å; I572-M578 HydrophobicContact CG2-CG 4.21Å; I572-M578 HydrophobicContact CG2-SD 4.32Å; V573-M578 HydrophobicContact CG2-SD 3.92Å; T576-M578 PolarHBondContact O-N 3.29Å; M578-Q582 HydrophobicContact CB-CB 4.4Å; M578-Q582 HydrophobicContact CE-CB 3.84Å; M578-I583 HydrophobicContact CB-CD1 4.17Å; M578-I583 HydrophobicContact CB-CG1 3.81Å; M578-I583 HydrophobicContact CE-CG1 4.45Å; M578-V586 HydrophobicContact CE-CG2 3.92Å; M578-M674 HydrophobicContact CE-SD 4.15Å; M578-M674 HydrophobicContact SD-CB 4.22Å; M578-M674 HydrophobicContact SD-CG 3.9Å; M578-M674 HydrophobicContact SD-SD 4Å; M578-L750 HydrophobicContact CE-CD1 4.12Å; M578-L750 HydrophobicContact CG-CD1 4.1Å
579	N	96.5	Very high	95	Very high	66 Å²	66	31.1 Å²	31.1	35%	0.353	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-89.5	170.4	169.3	79.5	13.3	0	0	0	110.9	E581 Q582 I583	N579-E581 VanDerWaalsContact C-N 3.34Å; N579-E581 PolarHBondContact ND2-OE2 2.81Å; N579-E581 PolarHBondContact O-N 2.87Å; N579-E581 WeakPolarHBondContact OD1-CB 3.32Å; N579-E581 PolarHBondContact OD1-N 2.95Å; N579-E581 VanDerWaalsContact OD1-N 3.12Å; N579-Q582 PolarHBondContact O-N 2.99Å; N579-Q582 WeakPolarHBondContact OD1-CB 3.08Å; N579-Q582 WeakPolarHBondContact OD1-CG 3.03Å; N579-Q582 PolarHBondContact OD1-N 3.2Å; N579-Q582 PolarHBondContact OD1-OE1 2.87Å; N579-I583 VanDerWaalsContact O-CG1 3.28Å; N579-I583 WeakPolarHBondContact O-CG1 3.45Å; N579-I583 PolarHBondContact O-N 3.39Å
580	E	98.2	Very high	95.1	Very high	42 Å²	42	31.2 Å²	31.2	20%	0.196	15%	0.154	C	C	.	.	H	α-helix	trans	-70.2	-25.5	-176.8	-72.4	-168.8	-147	0	0	114.2	A584 V707 S708 L711 F737 L740	E580-A584 WeakPolarHBondContact O-CB 3.39Å; E580-A584 PolarHBondContact O-N 3.26Å; E580-V707 VanDerWaalsContact OE1-CA 3.24Å; E580-V707 WeakPolarHBondContact OE1-CA 3.46Å; E580-S708 PolarHBondContact OE1-N 3.31Å; E580-S708 WeakPolarHBondContact OE2-CB 3.38Å; E580-S708 PolarHBondContact OE2-OG 3.42Å; E580-L711 HydrophobicContact CG-CD2 3.8Å; E580-F737 HydrophobicContact CB-CE2 4.08Å; E580-F737 HydrophobicContact CG-CE2 4.39Å; E580-F737 WeakPolarHBondContact O-CZ 3.4Å; E580-L740 HydrophobicContact CB-CD1 4.28Å
581	E	98.5	Very high	95.3	Very high	76 Å²	76	30.2 Å²	30.2	36%	0.355	15%	0.148	S	C	.	.	H	α-helix	trans	-65.2	-47.4	172	166.8	-164.7	-160.9	0	0	111.1	N579 A584 T585 L740 C746	N579-E581 VanDerWaalsContact C-N 3.34Å; N579-E581 PolarHBondContact ND2-OE2 2.81Å; N579-E581 PolarHBondContact O-N 2.87Å; N579-E581 WeakPolarHBondContact OD1-CB 3.32Å; N579-E581 PolarHBondContact OD1-N 2.95Å; N579-E581 VanDerWaalsContact OD1-N 3.12Å; E581-A584 PolarHBondContact O-N 2.57Å; E581-T585 WeakPolarHBondContact O-CB 3.29Å; E581-T585 PolarHBondContact O-N 2.78Å; E581-T585 PolarHBondContact O-OG1 3.03Å; E581-L740 VanDerWaalsContact CA-O 3.27Å; E581-L740 WeakPolarHBondContact CA-O 3.35Å; E581-L740 WeakPolarHBondContact CB-O 3.27Å; E581-L740 WeakPolarHBondContact CG-O 3.3Å; E581-C746 HydrophobicContact CG-CB 4.39Å
582	Q	98.5	Very high	95.7	Very high	19 Å²	19	33.5 Å²	33.5	9%	0.089	16%	0.158	C	C	.	.	H	α-helix	trans	-66.1	-41.9	179	-68.2	163.3	-26.1	0	0	110.9	M578 N579 T585 V586 C746 I747 L750	M578-Q582 HydrophobicContact CB-CB 4.4Å; M578-Q582 HydrophobicContact CE-CB 3.84Å; N579-Q582 PolarHBondContact O-N 2.99Å; N579-Q582 WeakPolarHBondContact OD1-CB 3.08Å; N579-Q582 WeakPolarHBondContact OD1-CG 3.03Å; N579-Q582 PolarHBondContact OD1-N 3.2Å; N579-Q582 PolarHBondContact OD1-OE1 2.87Å; Q582-T585 PolarHBondContact O-N 3.26Å; Q582-V586 PolarHBondContact O-N 3.41Å; Q582-C746 HydrophobicContact CG-CB 4.44Å; Q582-C746 PolarHBondContact NE2-O 2.94Å; Q582-I747 HydrophobicContact CB-CD1 3.94Å; Q582-I747 HydrophobicContact CG-CD1 4.16Å; Q582-L750 HydrophobicContact CB-CD1 4.38Å; Q582-L750 HydrophobicContact CG-CD1 4.24Å
583	I	98.6	Very high	95.9	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.015	16%	0.157	C	C	.	.	H	α-helix	trans	-63.1	-44.8	173.5	-66.3	167.1	0	0	0	110.3	M578 N579 T585 V586 C587 M674 V675 F737	M578-I583 HydrophobicContact CB-CD1 4.17Å; M578-I583 HydrophobicContact CB-CG1 3.81Å; M578-I583 HydrophobicContact CE-CG1 4.45Å; N579-I583 VanDerWaalsContact O-CG1 3.28Å; N579-I583 WeakPolarHBondContact O-CG1 3.45Å; N579-I583 PolarHBondContact O-N 3.39Å; I583-T585 VanDerWaalsContact C-N 3.31Å; I583-T585 PolarHBondContact O-N 2.85Å; I583-V586 PolarHBondContact O-N 2.87Å; I583-C587 WeakPolarHBondContact O-CB 3.37Å; I583-C587 PolarHBondContact O-N 3.35Å; I583-C587 PolarHBondContact O-SG 3.02Å; I583-M674 HydrophobicContact CD1-CB 4.38Å; I583-M674 HydrophobicContact CG1-CB 4.13Å; I583-M674 HydrophobicContact CG1-SD 4.37Å; I583-M674 HydrophobicContact CG2-CE 4.06Å; I583-V675 HydrophobicContact CD1-CG2 3.79Å; I583-F737 HydrophobicContact CB-CZ 4.21Å; I583-F737 HydrophobicContact CG2-CE1 4.08Å; I583-F737 HydrophobicContact CG2-CZ 3.84Å
584	A	98.9	Very high	96.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.6	-38.1	176.1	0	0	0	0	0	112.5	E580 E581 C587 L588 F737 L738 L740	E580-A584 WeakPolarHBondContact O-CB 3.39Å; E580-A584 PolarHBondContact O-N 3.26Å; E581-A584 PolarHBondContact O-N 2.57Å; A584-C587 PolarHBondContact O-N 3.02Å; A584-L588 VanDerWaalsContact O-CB 3.29Å; A584-L588 WeakPolarHBondContact O-CB 3.21Å; A584-L588 PolarHBondContact O-N 2.73Å; A584-F737 HydrophobicContact CB-CD1 4.27Å; A584-F737 HydrophobicContact CB-CE1 3.73Å; A584-F737 HydrophobicContact CB-CE2 4.43Å; A584-F737 HydrophobicContact CB-CZ 3.8Å; A584-L738 HydrophobicContact CB-CD2 4.39Å; A584-L740 HydrophobicContact CB-CB 3.97Å
585	T	98.9	Very high	96.7	Very high	8 Å²	8	31.8 Å²	31.8	5%	0.049	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-48.6	176.8	-52.1	0	0	0	0	111.4	E581 Q582 I583 L588 S589 I620 G742 I747	E581-T585 WeakPolarHBondContact O-CB 3.29Å; E581-T585 PolarHBondContact O-N 2.78Å; E581-T585 PolarHBondContact O-OG1 3.03Å; Q582-T585 PolarHBondContact O-N 3.26Å; I583-T585 VanDerWaalsContact C-N 3.31Å; I583-T585 PolarHBondContact O-N 2.85Å; T585-L588 PolarHBondContact O-N 3.4Å; T585-S589 PolarHBondContact O-N 3.39Å; T585-S589 VanDerWaalsContact O-N 3.11Å; T585-I620 HydrophobicContact CG2-CD1 3.87Å; T585-G742 WeakPolarHBondContact CG2-O 3.5Å; T585-G742 PolarHBondContact OG1-N 2.95Å; T585-G742 PolarHBondContact OG1-O 3.43Å; T585-I747 HydrophobicContact CG2-CD1 4.46Å; T585-I747 HydrophobicContact CG2-CG1 4.39Å
586	V	98.8	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.4	-49.1	174.2	172	0	0	0	0	111.3	L569 M578 Q582 I583 L588 S589 V590 I620 M670 M674 I747	L569-V586 HydrophobicContact CD1-CG2 4.37Å; L569-V586 HydrophobicContact CD2-CG1 3.77Å; M578-V586 HydrophobicContact CE-CG2 3.92Å; Q582-V586 PolarHBondContact O-N 3.41Å; I583-V586 PolarHBondContact O-N 2.87Å; V586-L588 VanDerWaalsContact C-N 3.33Å; V586-L588 PolarHBondContact O-N 3.11Å; V586-S589 PolarHBondContact O-N 3.03Å; V586-V590 HydrophobicContact CG1-CG2 4.32Å; V586-V590 WeakPolarHBondContact O-CG2 3.23Å; V586-V590 PolarHBondContact O-N 3.03Å; V586-I620 HydrophobicContact CG2-CD1 4.04Å; V586-I620 HydrophobicContact CG2-CG1 4.28Å; V586-M670 HydrophobicContact CG1-CE 3.68Å; V586-M674 HydrophobicContact CB-SD 4.04Å; V586-M674 HydrophobicContact CG1-CE 4.17Å; V586-M674 HydrophobicContact CG1-SD 3.81Å; V586-M674 HydrophobicContact CG2-SD 4.45Å; V586-I747 HydrophobicContact CG2-CD1 4.23Å
587	C	98.9	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-59.3	-42.3	-180	-70.4	0	0	0	0	112.2	I583 A584 L591 V671 F714 L738	I583-C587 WeakPolarHBondContact O-CB 3.37Å; I583-C587 PolarHBondContact O-N 3.35Å; I583-C587 PolarHBondContact O-SG 3.02Å; A584-C587 PolarHBondContact O-N 3.02Å; C587-L591 WeakPolarHBondContact O-CB 3.41Å; C587-L591 WeakPolarHBondContact O-CD1 3.31Å; C587-L591 WeakPolarHBondContact O-CG 3.46Å; C587-L591 PolarHBondContact O-N 2.99Å; C587-V671 WeakPolarHBondContact SG-CG2 3.37Å; C587-F714 HydrophobicContact CB-CE1 3.93Å; C587-F714 HydrophobicContact CB-CZ 4.09Å; C587-L738 HydrophobicContact CB-CD2 3.69Å
588	L	98.9	Very high	98.4	Very high	26 Å²	26	23.2 Å²	23.2	14%	0.136	11%	0.109	C	C	.	.	H	α-helix	trans	-64.5	-45.9	178.3	-179.9	60	0	0	0	111.9	A584 T585 V586 L591 R592 L738 S741	A584-L588 VanDerWaalsContact O-CB 3.29Å; A584-L588 WeakPolarHBondContact O-CB 3.21Å; A584-L588 PolarHBondContact O-N 2.73Å; T585-L588 PolarHBondContact O-N 3.4Å; V586-L588 VanDerWaalsContact C-N 3.33Å; V586-L588 PolarHBondContact O-N 3.11Å; L588-L591 PolarHBondContact O-N 3.07Å; L588-R592 HydrophobicContact CD1-CG 4.44Å; L588-R592 VanDerWaalsContact O-CG 3.31Å; L588-R592 WeakPolarHBondContact O-CG 3.31Å; L588-R592 PolarHBondContact O-N 3.33Å; L588-L738 HydrophobicContact CB-CD2 4.33Å; L588-L738 HydrophobicContact CD1-CD1 4.17Å; L588-S741 WeakPolarHBondContact CD2-OG 3.49Å
589	S	98.8	Very high	98.5	Very high	17 Å²	17	27.4 Å²	27.4	12%	0.119	14%	0.136	C	C	.	.	H	α-helix	trans	-61.4	-46	176.9	-75.3	0	0	0	0	112.6	N543 T585 V586 R592 A593	N543-S589 VanDerWaalsContact CB-O 3.22Å; N543-S589 WeakPolarHBondContact CB-O 3.05Å; N543-S589 PolarHBondContact ND2-OG 3.33Å; N543-S589 PolarHBondContact OD1-O 3.4Å; T585-S589 PolarHBondContact O-N 3.39Å; T585-S589 VanDerWaalsContact O-N 3.11Å; V586-S589 PolarHBondContact O-N 3.03Å; S589-R592 PolarHBondContact O-N 3.43Å; S589-A593 PolarHBondContact O-N 2.95Å
590	V	98.9	Very high	98.5	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	14%	0.139	C	C	.	.	H	α-helix	trans	-68.2	-38.2	178.9	178.3	0	0	0	0	111.2	V586 A593 L594 I612 I620 L667 M670	V586-V590 HydrophobicContact CG1-CG2 4.32Å; V586-V590 WeakPolarHBondContact O-CG2 3.23Å; V586-V590 PolarHBondContact O-N 3.03Å; V590-A593 PolarHBondContact O-N 2.96Å; V590-L594 HydrophobicContact CG1-CD1 4.06Å; V590-L594 HydrophobicContact CG1-CG 4.28Å; V590-L594 WeakPolarHBondContact O-CB 3.43Å; V590-L594 WeakPolarHBondContact O-CG 3.22Å; V590-L594 PolarHBondContact O-N 2.92Å; V590-I612 HydrophobicContact CG1-CD1 4.27Å; V590-I612 HydrophobicContact CG2-CD1 3.47Å; V590-I612 VanDerWaalsContact CG2-CD1 3.47Å; V590-I612 HydrophobicContact CG2-CG1 4.08Å; V590-I612 HydrophobicContact CG2-CG2 4.4Å; V590-I620 HydrophobicContact CG2-CG2 4.36Å; V590-L667 HydrophobicContact CB-CD1 4.4Å; V590-L667 HydrophobicContact CG1-CD1 4.02Å; V590-M670 HydrophobicContact CG2-CE 4.33Å
591	L	98.9	Very high	98.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67.3	-34	175.8	-78.4	168.5	0	0	0	113.3	C587 L588 S595 I664 L667 F714 A729 L732 I733 L738	C587-L591 WeakPolarHBondContact O-CB 3.41Å; C587-L591 WeakPolarHBondContact O-CD1 3.31Å; C587-L591 WeakPolarHBondContact O-CG 3.46Å; C587-L591 PolarHBondContact O-N 2.99Å; L588-L591 PolarHBondContact O-N 3.07Å; L591-S595 WeakPolarHBondContact O-CB 3.25Å; L591-S595 PolarHBondContact O-N 3.49Å; L591-I664 HydrophobicContact CD2-CD1 4.37Å; L591-L667 HydrophobicContact CD1-CD2 4.29Å; L591-L667 HydrophobicContact CD2-CD2 3.53Å; L591-L667 HydrophobicContact CG-CD2 3.66Å; L591-F714 HydrophobicContact CD1-CE2 4.19Å; L591-F714 HydrophobicContact CD1-CZ 3.76Å; L591-A729 HydrophobicContact CD2-CB 4.02Å; L591-L732 HydrophobicContact CD1-CB 3.73Å; L591-L732 HydrophobicContact CD2-CB 3.89Å; L591-L732 HydrophobicContact CD2-CD1 4.07Å; L591-I733 HydrophobicContact CB-CD1 4.37Å; L591-I733 HydrophobicContact CB-CG1 3.82Å; L591-L738 HydrophobicContact CD1-CD1 3.73Å
592	R	98.8	Very high	98.4	Very high	106 Å²	106	23.6 Å²	23.6	40%	0.4	12%	0.119	S	C	.	.	H	α-helix	trans	-62.2	-48.6	171.6	-73	171.8	179.5	-168.2	1.9	111.1	E542 L588 S589 S595 Y596	E542-R592 IonicContact OE2-NH1 3.39Å; L588-R592 HydrophobicContact CD1-CG 4.44Å; L588-R592 VanDerWaalsContact O-CG 3.31Å; L588-R592 WeakPolarHBondContact O-CG 3.31Å; L588-R592 PolarHBondContact O-N 3.33Å; S589-R592 PolarHBondContact O-N 3.43Å; R592-S595 PolarHBondContact O-N 3.29Å; R592-Y596 PolarHBondContact O-N 3.08Å
593	A	98.8	Very high	98.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.2	-48.5	175.6	0	0	0	0	0	112.2	N543 V544 S589 V590 Y596 L597 L622	N543-A593 HydrophobicContact CB-CB 4.11Å; N543-A593 WeakPolarHBondContact O-CB 3.42Å; V544-A593 HydrophobicContact CG2-CB 3.99Å; S589-A593 PolarHBondContact O-N 2.95Å; V590-A593 PolarHBondContact O-N 2.96Å; A593-Y596 PolarHBondContact O-N 3.28Å; A593-L597 WeakPolarHBondContact O-CB 3.32Å; A593-L597 VanDerWaalsContact O-CG 3.26Å; A593-L597 WeakPolarHBondContact O-CG 3.44Å; A593-L597 PolarHBondContact O-N 3.39Å; A593-L622 HydrophobicContact CB-CB 4.33Å; A593-L622 HydrophobicContact CB-CD2 4.18Å
594	L	98.8	Very high	98.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.8	-43.6	176.9	-72.1	178.3	0	0	0	111.8	V590 Y596 L597 H598 H604 I607 D663 I664 L667 A729	V590-L594 HydrophobicContact CG1-CD1 4.06Å; V590-L594 HydrophobicContact CG1-CG 4.28Å; V590-L594 WeakPolarHBondContact O-CB 3.43Å; V590-L594 WeakPolarHBondContact O-CG 3.22Å; V590-L594 PolarHBondContact O-N 2.92Å; L594-Y596 VanDerWaalsContact C-N 3.33Å; L594-Y596 PolarHBondContact O-N 2.92Å; L594-L597 PolarHBondContact O-N 3.49Å; L594-H598 WeakPolarHBondContact O-CB 3.31Å; L594-H598 PolarHBondContact O-CD2 3.38Å; L594-H598 VanDerWaalsContact O-CD2 3.28Å; L594-H598 PolarHBondContact O-N 2.84Å; L594-H604 HydrophobicContact CD2-CB 4.35Å; L594-I607 HydrophobicContact CD2-CD1 3.9Å; L594-I607 HydrophobicContact CD2-CG1 4.17Å; L594-D663 HydrophobicContact CD1-CB 4.18Å; L594-D663 HydrophobicContact CD2-CB 3.82Å; L594-I664 HydrophobicContact CD1-CD1 4.37Å; L594-L667 HydrophobicContact CD1-CD2 4.41Å; L594-A729 HydrophobicContact CB-CB 4.15Å
595	S	98.8	Very high	98.3	Very high	23 Å²	23	23.1 Å²	23.1	16%	0.161	12%	0.117	C	C	.	.	H	α-helix	trans	-61.2	-41.8	178	-168.4	0	0	0	0	111.6	L591 R592 T599	L591-S595 WeakPolarHBondContact O-CB 3.25Å; L591-S595 PolarHBondContact O-N 3.49Å; R592-S595 PolarHBondContact O-N 3.29Å; S595-T599 VanDerWaalsContact O-CG2 3.28Å; S595-T599 WeakPolarHBondContact O-CG2 3.48Å; S595-T599 PolarHBondContact O-N 3.44Å
596	Y	98.6	Very high	98.2	Very high	67 Å²	67	23 Å²	23	26%	0.263	12%	0.116	S	C	.	.	H	α-helix	trans	-60.4	-57.7	173.4	170.6	-111.6	0	0	0	111.1	Y539 H540 H541 R592 A593 L594 H598 T599 Q600	Y539-Y596 HydrophobicContact CD1-CE1 4.44Å; H540-Y596 PolarHBondContact N-OH 3.09Å; H540-Y596 PolarHBondContact O-OH 2.94Å; H541-Y596 HydrophobicContact CB-CD1 3.63Å; H541-Y596 HydrophobicContact CB-CE1 3.86Å; H541-Y596 HydrophobicContact CB-CG 4.24Å; R592-Y596 PolarHBondContact O-N 3.08Å; A593-Y596 PolarHBondContact O-N 3.28Å; L594-Y596 VanDerWaalsContact C-N 3.33Å; L594-Y596 PolarHBondContact O-N 2.92Å; Y596-H598 VanDerWaalsContact C-N 3.33Å; Y596-H598 PolarHBondContact O-N 3.16Å; Y596-T599 PolarHBondContact O-N 3.06Å; Y596-T599 PolarHBondContact O-OG1 3.38Å; Y596-Q600 PolarHBondContact O-N 3.28Å
597	L	98.2	Very high	98.2	Very high	2 Å²	2	23 Å²	23	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-57.7	-41.6	-178.9	-69.3	168.9	0	0	0	112.7	Y539 V544 A593 L594 Q600 G601 V602 L622 F625	Y539-L597 HydrophobicContact CG-CD2 4.43Å; V544-L597 HydrophobicContact CG2-CD1 4.49Å; A593-L597 WeakPolarHBondContact O-CB 3.32Å; A593-L597 VanDerWaalsContact O-CG 3.26Å; A593-L597 WeakPolarHBondContact O-CG 3.44Å; A593-L597 PolarHBondContact O-N 3.39Å; L594-L597 PolarHBondContact O-N 3.49Å; L597-Q600 CarbonylContact O-C 3.6Å; L597-Q600 PolarHBondContact O-N 3.45Å; L597-Q600 VanDerWaalsContact O-N 3.12Å; L597-G601 PolarHBondContact O-N 2.87Å; L597-V602 CarbonylContact C-O 3.54Å; L597-V602 HydrophobicContact CB-CB 4.09Å; L597-V602 HydrophobicContact CB-CG1 4.5Å; L597-V602 HydrophobicContact CD2-CB 4.15Å; L597-V602 HydrophobicContact CD2-CG1 4.14Å; L597-V602 HydrophobicContact CD2-CG2 4.39Å; L597-V602 PolarHBondContact O-N 3.12Å; L597-L622 HydrophobicContact CD1-CD2 3.86Å; L597-F625 HydrophobicContact CD1-CE1 3.96Å
598	H	98.2	Very high	98.1	Very high	27 Å²	27	23.2 Å²	23.2	13%	0.125	12%	0.116	C	C	.	.	H	α-helix	trans	-66.6	-37.6	-179.8	-70.2	-173.9	0	0	0	112.3	L594 Y596 Q600 G601 V602 T660 D663	L594-H598 WeakPolarHBondContact O-CB 3.31Å; L594-H598 PolarHBondContact O-CD2 3.38Å; L594-H598 VanDerWaalsContact O-CD2 3.28Å; L594-H598 PolarHBondContact O-N 2.84Å; Y596-H598 VanDerWaalsContact C-N 3.33Å; Y596-H598 PolarHBondContact O-N 3.16Å; H598-Q600 PolarHBondContact O-N 2.99Å; H598-G601 PolarHBondContact O-N 2.95Å; H598-G601 VanDerWaalsContact O-N 3.08Å; H598-V602 PolarHBondContact CD2-O 3.44Å; H598-T660 HydrophobicContact CB-CG2 3.88Å; H598-T660 PolarHBondContact CE1-O 3.44Å; H598-D663 IonicContact CD2-OD2 3.24Å; H598-D663 IonicContact CE1-OD2 2.79Å; H598-D663 IonicContact NE2-OD2 3.25Å; H598-D663 PolarHBondContact NE2-OD2 2.75Å
599	T	97.3	Very high	98	Very high	92 Å²	92	22 Å²	22	56%	0.564	11%	0.11	S	C	*	.	H	α-helix	trans	-64.8	-26.3	173.2	62.8	0	0	0	0	112.8	S595 Y596 G601	S595-T599 VanDerWaalsContact O-CG2 3.28Å; S595-T599 WeakPolarHBondContact O-CG2 3.48Å; S595-T599 PolarHBondContact O-N 3.44Å; Y596-T599 PolarHBondContact O-N 3.06Å; Y596-T599 PolarHBondContact O-OG1 3.38Å; T599-G601 VanDerWaalsContact C-N 3.34Å
600	Q	96.4	Very high	97.8	Very high	89 Å²	89	21.8 Å²	21.8	42%	0.416	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-0.5	175.1	-55.8	-52.7	-52.1	0	0	113.3	Y539 Y596 L597 H598 V602 Q630	Y539-Q600 HydrophobicContact CD1-CB 4.12Å; Y539-Q600 HydrophobicContact CD1-CG 3.95Å; Y539-Q600 HydrophobicContact CE1-CB 3.47Å; Y539-Q600 VanDerWaalsContact CE1-CB 3.47Å; Y539-Q600 HydrophobicContact CE1-CG 3.64Å; Y596-Q600 PolarHBondContact O-N 3.28Å; L597-Q600 CarbonylContact O-C 3.6Å; L597-Q600 PolarHBondContact O-N 3.45Å; L597-Q600 VanDerWaalsContact O-N 3.12Å; H598-Q600 PolarHBondContact O-N 2.99Å; Q600-V602 VanDerWaalsContact C-N 3.34Å; Q600-V602 HydrophobicContact CB-CG2 4.43Å; Q600-Q630 PolarHBondContact O-NE2 3.39Å
601	G	96.5	Very high	97.7	Very high	14 Å²	14	21.7 Å²	21.7	14%	0.144	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	17.1	-177.2	0	0	0	0	0	114.6	L597 H598 T599 Q630 V631	L597-G601 PolarHBondContact O-N 2.87Å; H598-G601 PolarHBondContact O-N 2.95Å; H598-G601 VanDerWaalsContact O-N 3.08Å; T599-G601 VanDerWaalsContact C-N 3.34Å; G601-Q630 PolarHBondContact O-NE2 3.41Å; G601-V631 VanDerWaalsContact O-CG2 3.23Å; G601-V631 WeakPolarHBondContact O-CG2 3.44Å; G601-V631 PolarHBondContact O-N 3.31Å
602	V	97.7	Very high	97.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.7	172.2	-177.5	0	0	0	0	109.3	I535 Y539 L597 H598 Q600 C628	I535-V602 HydrophobicContact CD1-CG1 4.21Å; I535-V602 HydrophobicContact CD1-CG2 4.21Å; I535-V602 HydrophobicContact CG2-CG1 4.25Å; Y539-V602 HydrophobicContact CD2-CG2 3.9Å; Y539-V602 HydrophobicContact CE1-CG2 4.37Å; Y539-V602 HydrophobicContact CE2-CG2 3.44Å; Y539-V602 VanDerWaalsContact CE2-CG2 3.44Å; L597-V602 CarbonylContact C-O 3.54Å; L597-V602 HydrophobicContact CB-CB 4.09Å; L597-V602 HydrophobicContact CB-CG1 4.5Å; L597-V602 HydrophobicContact CD2-CB 4.15Å; L597-V602 HydrophobicContact CD2-CG1 4.14Å; L597-V602 HydrophobicContact CD2-CG2 4.39Å; L597-V602 PolarHBondContact O-N 3.12Å; H598-V602 PolarHBondContact CD2-O 3.44Å; Q600-V602 VanDerWaalsContact C-N 3.34Å; Q600-V602 HydrophobicContact CB-CG2 4.43Å; V602-C628 HydrophobicContact CG1-CB 4.29Å
603	I	98.2	Very high	97.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.3	170.7	-45.8	164	0	0	0	107.8	R605 C628 A629 V631 R638 G659 T660 V662	I603-R605 HydrophobicContact CB-CG 4.06Å; I603-R605 HydrophobicContact CG2-CG 3.45Å; I603-R605 VanDerWaalsContact CG2-CG 3.45Å; I603-C628 CarbonylContact O-C 3.48Å; I603-C628 WeakPolarHBondContact O-CA 3.29Å; I603-A629 PolarHBondContact N-O 3.18Å; I603-A629 PolarHBondContact O-N 3.34Å; I603-V631 HydrophobicContact CD1-CG1 3.69Å; I603-V631 HydrophobicContact CD1-CG2 4.35Å; I603-V631 HydrophobicContact CG1-CG2 4.46Å; I603-R638 HydrophobicContact CD1-CG 3.93Å; I603-G659 VanDerWaalsContact CD1-C 3.5Å; I603-G659 WeakPolarHBondContact CD1-O 3.08Å; I603-G659 WeakPolarHBondContact CG2-O 3.19Å; I603-T660 HydrophobicContact CG1-CG2 3.92Å; I603-V662 HydrophobicContact CG2-CG2 3.56Å
604	H	98.1	Very high	97.6	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.097	C	C	.	.			trans	-77.5	-50.6	-176.1	-166.3	-103.3	0	0	0	113.2	L594 D606 I607 S623 F625 F627 C628 D663	L594-H604 HydrophobicContact CD2-CB 4.35Å; H604-D606 PolarHBondContact O-N 2.84Å; H604-I607 HydrophobicContact CB-CD1 3.96Å; H604-I607 HydrophobicContact CB-CG1 4.06Å; H604-I607 VanDerWaalsContact ND1-CD1 3.31Å; H604-I607 WeakPolarHBondContact ND1-CD1 3.38Å; H604-S623 PolarHBondContact CE1-O 2.87Å; H604-S623 VanDerWaalsContact CE1-O 3.29Å; H604-S623 PolarHBondContact NE2-O 3.43Å; H604-S623 VanDerWaalsContact NE2-O 3.13Å; H604-F625 AromaticContact CD2-CD1 3.76Å; H604-F625 AromaticContact CD2-CE1 3.82Å; H604-F625 AromaticContact NE2-CD1 3.93Å; H604-F627 CarbonylContact O-C 3.49Å; H604-F627 VanDerWaalsContact O-C 3.32Å; H604-C628 PolarHBondContact O-N 3.26Å; H604-D663 PolarHBondContact N-OD1 3.33Å; H604-D663 PolarHBondContact N-OD2 3.19Å
605	R	97.5	Very high	97.5	Very high	12 Å²	12	18.6 Å²	18.6	5%	0.045	10%	0.099	C	C	.	.			trans	66.8	4	176.7	-47.6	-174.4	-61.4	173.7	-1.1	117.1	I603 F627 C628 S640 G643 Y658 V662 D663	I603-R605 HydrophobicContact CB-CG 4.06Å; I603-R605 HydrophobicContact CG2-CG 3.45Å; I603-R605 VanDerWaalsContact CG2-CG 3.45Å; R605-F627 PolarHBondContact NE-O 3.21Å; R605-F627 PolarHBondContact NH2-O 2.73Å; R605-C628 PolarHBondContact NH2-O 3.47Å; R605-S640 PolarHBondContact NH1-OG 3.17Å; R605-G643 WeakPolarHBondContact O-CA 3.44Å; R605-Y658 WeakPolarHBondContact CD-OH 3.43Å; R605-Y658 HydrophobicContact CG-CE2 4.44Å; R605-Y658 PolarHBondContact NH1-OH 3.43Å; R605-V662 HydrophobicContact CG-CG2 4.27Å; R605-D663 WeakPolarHBondContact CA-OD1 3.49Å; R605-D663 PolarHBondContact N-OD1 2.7Å
606	D	96.6	Very high	97.3	Very high	6 Å²	6	20.4 Å²	20.4	3%	0.032	11%	0.111	C	C	.	.			trans	-139	44.4	171.9	-146.6	22.8	0	0	0	113.4	H604 K608 S611 F627 T644	H604-D606 PolarHBondContact O-N 2.84Å; D606-K608 VanDerWaalsContact CG-NZ 3.28Å; D606-K608 WeakPolarHBondContact O-CE 3.46Å; D606-K608 IonicContact OD1-NZ 2.65Å; D606-K608 WeakPolarHBondContact OD2-CE 3.46Å; D606-K608 IonicContact OD2-NZ 2.64Å; D606-K608 PolarHBondContact OD2-NZ 3.08Å; D606-S611 PolarHBondContact O-OG 3.39Å; D606-F627 HydrophobicContact CB-CB 4.13Å; D606-F627 HydrophobicContact CB-CD2 3.9Å; D606-F627 WeakPolarHBondContact OD2-CD2 3.31Å; D606-T644 VanDerWaalsContact OD1-CB 3.23Å; D606-T644 WeakPolarHBondContact OD1-CB 3.36Å; D606-T644 PolarHBondContact OD1-N 2.67Å; D606-T644 PolarHBondContact OD1-OG1 3.01Å; D606-T644 PolarHBondContact OD2-OG1 3.2Å
607	I	98.6	Very high	97.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.116	C	C	.	.			trans	-75.2	129	175.4	-59.6	-67.7	0	0	0	111.1	L594 H604 L622 D663 S666 L667 M670	L594-I607 HydrophobicContact CD2-CD1 3.9Å; L594-I607 HydrophobicContact CD2-CG1 4.17Å; H604-I607 HydrophobicContact CB-CD1 3.96Å; H604-I607 HydrophobicContact CB-CG1 4.06Å; H604-I607 VanDerWaalsContact ND1-CD1 3.31Å; H604-I607 WeakPolarHBondContact ND1-CD1 3.38Å; I607-L622 HydrophobicContact CD1-CD1 3.47Å; I607-L622 VanDerWaalsContact CD1-CD1 3.47Å; I607-L622 HydrophobicContact CD1-CD2 4.04Å; I607-L622 HydrophobicContact CD1-CG 4.43Å; I607-D663 HydrophobicContact CG1-CB 4.16Å; I607-S666 WeakPolarHBondContact O-CB 3.37Å; I607-L667 HydrophobicContact CG2-CB 4.2Å; I607-M670 HydrophobicContact CG2-SD 4.32Å
608	K	97.7	Very high	97.1	Very high	3 Å²	3	20.4 Å²	20.4	1%	0.013	12%	0.116	C	C	.	.	S	Bend	trans	178.9	167.9	-170.3	57.7	-169.3	170.7	176.7	0	108.7	D606 D610 S611 T644 W647 M670	D606-K608 VanDerWaalsContact CG-NZ 3.28Å; D606-K608 WeakPolarHBondContact O-CE 3.46Å; D606-K608 IonicContact OD1-NZ 2.65Å; D606-K608 WeakPolarHBondContact OD2-CE 3.46Å; D606-K608 IonicContact OD2-NZ 2.64Å; D606-K608 PolarHBondContact OD2-NZ 3.08Å; K608-D610 VanDerWaalsContact C-N 3.27Å; K608-D610 HydrophobicContact CD-CB 3.92Å; K608-D610 HydrophobicContact CG-CB 3.96Å; K608-D610 PolarHBondContact O-N 2.87Å; K608-S611 WeakPolarHBondContact CE-OG 3.21Å; K608-S611 PolarHBondContact O-N 2.91Å; K608-T644 PolarHBondContact NZ-OG1 3.44Å; K608-W647 HydrophobicContact CB-CD2 3.81Å; K608-W647 VanDerWaalsContact CB-CE2 3.48Å; K608-W647 HydrophobicContact CB-CG 3.89Å; K608-W647 HydrophobicContact CB-CZ2 4Å; K608-W647 VanDerWaalsContact CB-NE1 3.33Å; K608-M670 VanDerWaalsContact C-SD 3.55Å
609	S	97.1	Very high	97.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-57.1	-35.1	178.4	68.9	0	0	0	0	114.5	L569 T570 S611 I612 E673	L569-S609 WeakPolarHBondContact CB-O 3.29Å; T570-S609 WeakPolarHBondContact CA-OG 3.3Å; T570-S609 WeakPolarHBondContact CB-OG 3.46Å; T570-S609 PolarHBondContact OG1-OG 2.91Å; S609-S611 PolarHBondContact O-N 2.73Å; S609-I612 PolarHBondContact O-N 3.41Å; S609-E673 VanDerWaalsContact CB-CD 3.42Å; S609-E673 VanDerWaalsContact CB-OE1 3.25Å; S609-E673 WeakPolarHBondContact CB-OE1 3.19Å; S609-E673 PolarHBondContact N-OE2 2.76Å; S609-E673 VanDerWaalsContact N-OE2 3.09Å; S609-E673 VanDerWaalsContact OG-CD 3.23Å; S609-E673 PolarHBondContact OG-OE1 2.79Å
610	D	94.6	Very high	97.2	Very high	14 Å²	14	19.4 Å²	19.4	8%	0.075	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-59.8	-29.8	-179.1	-73.9	-60.5	0	0	0	113.8	N113 T570 K608	N113-D610 HydrophobicContact CB-CB 4.39Å; N113-D610 WeakPolarHBondContact CB-OD1 3.5Å; N113-D610 VanDerWaalsContact ND2-CB 3.32Å; N113-D610 WeakPolarHBondContact ND2-CB 3.08Å; N113-D610 VanDerWaalsContact ND2-CG 3.28Å; N113-D610 PolarHBondContact ND2-OD1 2.83Å; T570-D610 WeakPolarHBondContact OG1-CA 3.34Å; T570-D610 PolarHBondContact OG1-N 3.11Å; T570-D610 PolarHBondContact OG1-OD1 2.85Å; K608-D610 VanDerWaalsContact C-N 3.27Å; K608-D610 HydrophobicContact CD-CB 3.92Å; K608-D610 HydrophobicContact CG-CB 3.96Å; K608-D610 PolarHBondContact O-N 2.87Å
611	S	96.9	Very high	97.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-99.5	9.8	-175.7	-64.5	0	0	0	0	112.7	D606 K608 S609 S623	D606-S611 PolarHBondContact O-OG 3.39Å; K608-S611 WeakPolarHBondContact CE-OG 3.21Å; K608-S611 PolarHBondContact O-N 2.91Å; S609-S611 PolarHBondContact O-N 2.73Å; S611-S623 WeakPolarHBondContact CA-OG 3.28Å; S611-S623 PolarHBondContact O-N 2.73Å; S611-S623 PolarHBondContact O-OG 3.25Å
612	I	98.3	Very high	97.4	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	110.7	173.6	-54.3	-46.7	0	0	0	108.2	A568 L569 V590 S609 I620 L622 M670	A568-I612 WeakPolarHBondContact CA-O 3.49Å; L569-I612 HydrophobicContact CB-CB 3.93Å; L569-I612 HydrophobicContact CB-CG2 4.19Å; L569-I612 HydrophobicContact CD2-CB 4.07Å; L569-I612 HydrophobicContact CD2-CG1 4.32Å; L569-I612 HydrophobicContact CD2-CG2 4.09Å; L569-I612 PolarHBondContact N-O 2.85Å; V590-I612 HydrophobicContact CG1-CD1 4.27Å; V590-I612 HydrophobicContact CG2-CD1 3.47Å; V590-I612 VanDerWaalsContact CG2-CD1 3.47Å; V590-I612 HydrophobicContact CG2-CG1 4.08Å; V590-I612 HydrophobicContact CG2-CG2 4.4Å; S609-I612 PolarHBondContact O-N 3.41Å; I612-I620 HydrophobicContact CG2-CG2 3.48Å; I612-I620 VanDerWaalsContact CG2-CG2 3.48Å; I612-L622 HydrophobicContact CD1-CD1 3.88Å; I612-M670 HydrophobicContact CD1-SD 4.24Å; I612-M670 HydrophobicContact CG1-CE 4.11Å; I612-M670 HydrophobicContact CG1-SD 3.57Å; I612-M670 VanDerWaalsContact CG1-SD 3.57Å
613	L	97.6	Very high	97.3	Very high	37 Å²	37	15.4 Å²	15.4	19%	0.194	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	152.6	-179.4	-60.2	-174.6	0	0	0	111.6	V545 L564 G567 A568 K621	V545-L613 HydrophobicContact CG2-CD1 4.23Å; L564-L613 HydrophobicContact CB-CB 4.15Å; L564-L613 HydrophobicContact CD1-CB 3.45Å; L564-L613 VanDerWaalsContact CD1-CB 3.45Å; L564-L613 HydrophobicContact CD1-CD1 4.11Å; L564-L613 HydrophobicContact CD1-CG 4.43Å; L564-L613 HydrophobicContact CG-CB 4.44Å; G567-L613 WeakPolarHBondContact O-CA 3.18Å; A568-L613 HydrophobicContact CB-CD2 3.95Å; L613-K621 PolarHBondContact N-O 3.35Å; L613-K621 PolarHBondContact O-N 3.37Å
614	L	97.8	Very high	97	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	135.2	-173.1	-59.6	175.2	0	0	0	111.7	L564 G566 G567 I572 I620 I747 M751	L564-L614 CarbonylContact C-O 3.58Å; L564-L614 WeakPolarHBondContact CB-O 3.17Å; G566-L614 WeakPolarHBondContact CA-O 3.4Å; G566-L614 PolarHBondContact N-O 2.88Å; G567-L614 PolarHBondContact O-N 2.91Å; I572-L614 HydrophobicContact CD1-CD1 3.34Å; L614-I620 HydrophobicContact CD2-CB 4.2Å; L614-I620 HydrophobicContact CD2-CG1 3.44Å; L614-I620 VanDerWaalsContact CD2-CG1 3.44Å; L614-I620 HydrophobicContact CD2-CG2 4.49Å; L614-I747 HydrophobicContact CD1-CG2 4.04Å; L614-I747 HydrophobicContact CD2-CG2 4.25Å; L614-M751 HydrophobicContact CB-SD 3.86Å; L614-M751 HydrophobicContact CD1-CG 4.23Å; L614-M751 HydrophobicContact CD1-SD 4.15Å
615	T	96.6	Very high	96.7	Very high	4 Å²	4	17.5 Å²	17.5	3%	0.025	9%	0.09	C	C	.	.			trans	-75.1	160.1	167.2	56.3	0	0	0	0	111	L564 D617 G618 R619 M751	L564-T615 HydrophobicContact CD2-CG2 3.48Å; L564-T615 VanDerWaalsContact CD2-CG2 3.48Å; T615-D617 WeakPolarHBondContact CB-OD1 3.3Å; T615-D617 PolarHBondContact O-N 3.49Å; T615-D617 PolarHBondContact OG1-OD1 3Å; T615-D617 VanDerWaalsContact OG1-OD1 3.05Å; T615-G618 PolarHBondContact O-N 2.86Å; T615-G618 PolarHBondContact OG1-N 2.74Å; T615-R619 HydrophobicContact CG2-CB 4.11Å; T615-R619 PolarHBondContact N-O 3.36Å; T615-R619 WeakPolarHBondContact OG1-CA 3.23Å; T615-R619 WeakPolarHBondContact OG1-CB 3.47Å; T615-R619 PolarHBondContact OG1-N 3.24Å; T615-R619 PolarHBondContact OG1-O 2.98Å; T615-R619 VanDerWaalsContact OG1-O 3.08Å; T615-M751 VanDerWaalsContact O-CE 3.32Å; T615-M751 WeakPolarHBondContact O-CE 3.32Å
616	S	94.8	Very high	96.3	Very high	60 Å²	60	17.1 Å²	17.1	42%	0.42	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.5	172.8	54.1	0	0	0	0	114.8	E565	E565-S616 VanDerWaalsContact CD-CB 3.49Å; E565-S616 VanDerWaalsContact CD-OG 3.28Å; E565-S616 WeakPolarHBondContact OE1-CB 3.46Å; E565-S616 PolarHBondContact OE1-OG 3.32Å; E565-S616 WeakPolarHBondContact OE2-CB 3.48Å; E565-S616 PolarHBondContact OE2-N 2.84Å; E565-S616 PolarHBondContact OE2-OG 2.95Å
617	D	96.1	Very high	96.1	Very high	69 Å²	69	18.3 Å²	18.3	37%	0.369	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	0.5	174.2	68.3	-69.4	0	0	0	114.6	T615 R619 V748	T615-D617 WeakPolarHBondContact CB-OD1 3.3Å; T615-D617 PolarHBondContact O-N 3.49Å; T615-D617 PolarHBondContact OG1-OD1 3Å; T615-D617 VanDerWaalsContact OG1-OD1 3.05Å; D617-R619 IonicContact OD1-CZ 2.93Å; D617-R619 IonicContact OD1-NE 2.7Å; D617-R619 PolarHBondContact OD1-NE 3.32Å; D617-R619 IonicContact OD1-NH2 2.64Å; D617-R619 PolarHBondContact OD1-NH2 2.88Å; D617-R619 WeakPolarHBondContact OD2-CD 3Å; D617-R619 WeakPolarHBondContact OD2-CG 3.37Å; D617-R619 IonicContact OD2-CZ 3.91Å; D617-R619 IonicContact OD2-NE 2.67Å; D617-R619 PolarHBondContact OD2-NE 3.09Å; D617-R619 IonicContact OD2-NH2 2.64Å; D617-V748 VanDerWaalsContact C-CG2 3.45Å; D617-V748 VanDerWaalsContact O-CG2 3.27Å; D617-V748 WeakPolarHBondContact O-CG2 3.4Å
618	G	96.8	Very high	96	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.095	C	C	.	.			trans	89.6	7.9	171.7	0	0	0	0	0	115.7	T615	T615-G618 PolarHBondContact O-N 2.86Å; T615-G618 PolarHBondContact OG1-N 2.74Å
619	R	98.3	Very high	95.8	Very high	96 Å²	96	18.4 Å²	18.4	36%	0.362	10%	0.096	S	C	.	.			trans	-65.8	146.8	165.2	-67.7	171.7	-71.3	131.9	6.5	110.1	T615 D617 P744	T615-R619 HydrophobicContact CG2-CB 4.11Å; T615-R619 PolarHBondContact N-O 3.36Å; T615-R619 WeakPolarHBondContact OG1-CA 3.23Å; T615-R619 WeakPolarHBondContact OG1-CB 3.47Å; T615-R619 PolarHBondContact OG1-N 3.24Å; T615-R619 PolarHBondContact OG1-O 2.98Å; T615-R619 VanDerWaalsContact OG1-O 3.08Å; D617-R619 IonicContact OD1-CZ 2.93Å; D617-R619 IonicContact OD1-NE 2.7Å; D617-R619 PolarHBondContact OD1-NE 3.32Å; D617-R619 IonicContact OD1-NH2 2.64Å; D617-R619 PolarHBondContact OD1-NH2 2.88Å; D617-R619 WeakPolarHBondContact OD2-CD 3Å; D617-R619 WeakPolarHBondContact OD2-CG 3.37Å; D617-R619 IonicContact OD2-CZ 3.91Å; D617-R619 IonicContact OD2-NE 2.67Å; D617-R619 PolarHBondContact OD2-NE 3.09Å; D617-R619 IonicContact OD2-NH2 2.64Å; R619-P744 HydrophobicContact CG-CB 4.03Å; R619-P744 HydrophobicContact CG-CG 3.88Å
620	I	98.7	Very high	95.6	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.015	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.5	-171.3	-63.7	129.9	0	0	0	109.9	N543 T585 V586 V590 I612 L614 I747	N543-I620 WeakPolarHBondContact CA-O 3.46Å; N543-I620 WeakPolarHBondContact CB-O 3.41Å; N543-I620 PolarHBondContact ND2-O 2.97Å; T585-I620 HydrophobicContact CG2-CD1 3.87Å; V586-I620 HydrophobicContact CG2-CD1 4.04Å; V586-I620 HydrophobicContact CG2-CG1 4.28Å; V590-I620 HydrophobicContact CG2-CG2 4.36Å; I612-I620 HydrophobicContact CG2-CG2 3.48Å; I612-I620 VanDerWaalsContact CG2-CG2 3.48Å; L614-I620 HydrophobicContact CD2-CB 4.2Å; L614-I620 HydrophobicContact CD2-CG1 3.44Å; L614-I620 VanDerWaalsContact CD2-CG1 3.44Å; L614-I620 HydrophobicContact CD2-CG2 4.49Å; I620-I747 HydrophobicContact CD1-CG1 4.19Å
621	K	98.6	Very high	95.5	Very high	10 Å²	10	22.6 Å²	22.6	4%	0.043	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.1	179.1	-77.7	-176	152.9	-163.7	0	112.3	E542 N543 V544 V545 D546 E562 L564 L613	E542-K621 WeakPolarHBondContact O-CE 3.41Å; E542-K621 WeakPolarHBondContact O-CG 3.46Å; N543-K621 WeakPolarHBondContact O-CA 3.49Å; V544-K621 VanDerWaalsContact O-CD 3.23Å; V544-K621 WeakPolarHBondContact O-CD 3.47Å; V544-K621 WeakPolarHBondContact O-CE 3.48Å; V544-K621 PolarHBondContact O-NZ 2.99Å; V545-K621 HydrophobicContact CG2-CB 4.03Å; D546-K621 IonicContact OD2-NZ 2.7Å; D546-K621 PolarHBondContact OD2-NZ 3.35Å; E562-K621 VanDerWaalsContact OE1-CD 3.27Å; E562-K621 WeakPolarHBondContact OE1-CD 3.43Å; E562-K621 IonicContact OE1-NZ 2.88Å; E562-K621 PolarHBondContact OE1-NZ 3.4Å; E562-K621 IonicContact OE2-NZ 2.73Å; E562-K621 PolarHBondContact OE2-NZ 2.86Å; L564-K621 HydrophobicContact CD1-CB 3.93Å; L564-K621 HydrophobicContact CD1-CD 4.23Å; L564-K621 HydrophobicContact CD2-CD 4.41Å; L613-K621 PolarHBondContact N-O 3.35Å; L613-K621 PolarHBondContact O-N 3.37Å
622	L	98.4	Very high	95.3	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	133.5	177.6	175.3	61.9	0	0	0	111.5	N543 V545 A593 L597 I607 I612 F625	N543-L622 WeakPolarHBondContact O-CB 3.34Å; N543-L622 PolarHBondContact O-N 3.24Å; V545-L622 WeakPolarHBondContact CG2-O 3.32Å; V545-L622 PolarHBondContact N-O 3.47Å; A593-L622 HydrophobicContact CB-CB 4.33Å; A593-L622 HydrophobicContact CB-CD2 4.18Å; L597-L622 HydrophobicContact CD1-CD2 3.86Å; I607-L622 HydrophobicContact CD1-CD1 3.47Å; I607-L622 VanDerWaalsContact CD1-CD1 3.47Å; I607-L622 HydrophobicContact CD1-CD2 4.04Å; I607-L622 HydrophobicContact CD1-CG 4.43Å; I612-L622 HydrophobicContact CD1-CD1 3.88Å; L622-F625 HydrophobicContact CB-CZ 4.37Å; L622-F625 HydrophobicContact CD2-CE1 4.21Å; L622-F625 HydrophobicContact CD2-CZ 4.27Å; L622-F625 HydrophobicContact CG-CE1 4.27Å; L622-F625 HydrophobicContact CG-CZ 3.93Å; L622-F625 VanDerWaalsContact O-CE2 3.25Å; L622-F625 WeakPolarHBondContact O-CE2 3.41Å; L622-F625 WeakPolarHBondContact O-CZ 3.1Å
623	S	95.4	Very high	94.9	Very high	8 Å²	8	34.4 Å²	34.4	6%	0.056	17%	0.174	C	C	.	.			trans	-124.5	177	-179.4	70.9	0	0	0	0	113.6	H604 S611	H604-S623 PolarHBondContact CE1-O 2.87Å; H604-S623 VanDerWaalsContact CE1-O 3.29Å; H604-S623 PolarHBondContact NE2-O 3.43Å; H604-S623 VanDerWaalsContact NE2-O 3.13Å; S611-S623 WeakPolarHBondContact CA-OG 3.28Å; S611-S623 PolarHBondContact O-N 2.73Å; S611-S623 PolarHBondContact O-OG 3.25Å
624	D	91.6	Very high	94.7	Very high	44 Å²	44	39.7 Å²	39.7	24%	0.235	20%	0.198	C	C	.	.			trans	69.5	46.9	171.3	-59.5	-64.8	0	0	0	117	K516 G626	K516-D624 IonicContact NZ-OD1 3.79Å; K516-D624 PolarHBondContact NZ-OD1 2.84Å; D624-G626 PolarHBondContact O-N 3.4Å
625	F	92.6	Very high	94.4	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-62.6	-7.3	177.9	-60.6	-82.6	0	0	0	115.2	N531 I535 M536 V544 L597 H604 L622 F627 C628	N531-F625 VanDerWaalsContact CB-O 3.3Å; N531-F625 WeakPolarHBondContact CB-O 3.32Å; I535-F625 HydrophobicContact CB-CB 4.19Å; I535-F625 HydrophobicContact CG2-CB 4.07Å; I535-F625 HydrophobicContact CG2-CD1 3.62Å; I535-F625 HydrophobicContact CG2-CE1 4.42Å; I535-F625 HydrophobicContact CG2-CG 4.01Å; M536-F625 HydrophobicContact CE-CD2 4.18Å; M536-F625 HydrophobicContact CE-CE2 4.37Å; M536-F625 HydrophobicContact CG-CB 4.14Å; M536-F625 HydrophobicContact CG-CD2 3.48Å; M536-F625 VanDerWaalsContact CG-CD2 3.48Å; M536-F625 HydrophobicContact CG-CE2 4.23Å; M536-F625 HydrophobicContact CG-CG 3.98Å; M536-F625 HydrophobicContact SD-CD2 3.78Å; V544-F625 HydrophobicContact CB-CZ 4.43Å; V544-F625 HydrophobicContact CG1-CE2 4.03Å; V544-F625 HydrophobicContact CG1-CZ 3.67Å; V544-F625 HydrophobicContact CG2-CZ 4.22Å; L597-F625 HydrophobicContact CD1-CE1 3.96Å; H604-F625 AromaticContact CD2-CD1 3.76Å; H604-F625 AromaticContact CD2-CE1 3.82Å; H604-F625 AromaticContact NE2-CD1 3.93Å; L622-F625 HydrophobicContact CB-CZ 4.37Å; L622-F625 HydrophobicContact CD2-CE1 4.21Å; L622-F625 HydrophobicContact CD2-CZ 4.27Å; L622-F625 HydrophobicContact CG-CE1 4.27Å; L622-F625 HydrophobicContact CG-CZ 3.93Å; L622-F625 VanDerWaalsContact O-CE2 3.25Å; L622-F625 WeakPolarHBondContact O-CE2 3.41Å; L622-F625 WeakPolarHBondContact O-CZ 3.1Å; F625-F627 PolarHBondContact O-N 3.31Å; F625-F627 VanDerWaalsContact O-N 3.09Å; F625-C628 WeakPolarHBondContact O-CB 3.39Å; F625-C628 PolarHBondContact O-N 3.3Å; F625-C628 PolarHBondContact O-SG 3.39Å
626	G	89.4	Confident	94.1	Very high	3 Å²	3	46.7 Å²	46.7	3%	0.031	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-52.1	-32.1	176.2	0	0	0	0	0	114.7	L528 N531 E532 D624	L528-G626 WeakPolarHBondContact CB-O 3.36Å; N531-G626 PolarHBondContact ND2-O 3.06Å; E532-G626 WeakPolarHBondContact OE1-CA 3.39Å; E532-G626 PolarHBondContact OE1-N 3.06Å; E532-G626 PolarHBondContact OE2-N 2.79Å; D624-G626 PolarHBondContact O-N 3.4Å
627	F	92.7	Very high	94.2	Very high	31 Å²	31	48.1 Å²	48.1	14%	0.136	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-88.4	4	176	-76.8	-2.7	0	0	0	115	L528 H604 R605 D606 F625 V642	L528-F627 HydrophobicContact CD1-CD1 4.04Å; L528-F627 HydrophobicContact CD1-CE1 4.29Å; H604-F627 CarbonylContact O-C 3.49Å; H604-F627 VanDerWaalsContact O-C 3.32Å; R605-F627 PolarHBondContact NE-O 3.21Å; R605-F627 PolarHBondContact NH2-O 2.73Å; D606-F627 HydrophobicContact CB-CB 4.13Å; D606-F627 HydrophobicContact CB-CD2 3.9Å; D606-F627 WeakPolarHBondContact OD2-CD2 3.31Å; F625-F627 PolarHBondContact O-N 3.31Å; F625-F627 VanDerWaalsContact O-N 3.09Å; F627-V642 HydrophobicContact CB-CG1 3.76Å; F627-V642 HydrophobicContact CD1-CG1 3.97Å; F627-V642 HydrophobicContact CD2-CG1 3.93Å; F627-V642 HydrophobicContact CG-CG1 3.6Å
628	C	94.9	Very high	94.1	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.007	24%	0.238	C	C	.	.			trans	-58.4	164.9	178.1	-76.1	0	0	0	0	114.6	N531 I535 V602 I603 H604 R605 F625	N531-C628 HydrophobicContact CB-CB 4.38Å; N531-C628 PolarHBondContact ND2-O 3.29Å; I535-C628 HydrophobicContact CG1-CB 4.05Å; V602-C628 HydrophobicContact CG1-CB 4.29Å; I603-C628 CarbonylContact O-C 3.48Å; I603-C628 WeakPolarHBondContact O-CA 3.29Å; H604-C628 PolarHBondContact O-N 3.26Å; R605-C628 PolarHBondContact NH2-O 3.47Å; F625-C628 WeakPolarHBondContact O-CB 3.39Å; F625-C628 PolarHBondContact O-N 3.3Å; F625-C628 PolarHBondContact O-SG 3.39Å
629	A	94	Very high	93.9	Very high	4 Å²	4	55.3 Å²	55.3	3%	0.033	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	133.5	161.7	0	0	0	0	0	111.1	I603 R638	I603-A629 PolarHBondContact N-O 3.18Å; I603-A629 PolarHBondContact O-N 3.34Å; A629-R638 HydrophobicContact CB-CG 3.95Å
630	Q	93	Very high	93.6	Very high	81 Å²	81	52 Å²	52	38%	0.379	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	139.1	162.1	-166.6	60.7	38.4	0	0	110.4	Y539 Q600 G601	Y539-Q630 PolarHBondContact OH-OE1 3.06Å; Q600-Q630 PolarHBondContact O-NE2 3.39Å; G601-Q630 PolarHBondContact O-NE2 3.41Å
631	V	92.9	Very high	93.4	Very high	21 Å²	21	53.1 Å²	53.1	13%	0.127	26%	0.264	C	S	.	.			trans	-115.7	157.4	159.5	-71.1	0	0	0	0	110.4	G601 I603 V635 R638	G601-V631 VanDerWaalsContact O-CG2 3.23Å; G601-V631 WeakPolarHBondContact O-CG2 3.44Å; G601-V631 PolarHBondContact O-N 3.31Å; I603-V631 HydrophobicContact CD1-CG1 3.69Å; I603-V631 HydrophobicContact CD1-CG2 4.35Å; I603-V631 HydrophobicContact CG1-CG2 4.46Å; V631-V635 WeakPolarHBondContact CA-O 3.32Å; V631-V635 WeakPolarHBondContact CB-O 3.19Å; V631-R638 HydrophobicContact CG1-CG 3.9Å
632	S	92	Very high	93	Very high	52 Å²	52	53.2 Å²	53.2	36%	0.364	27%	0.265	S	S	.	.			trans	-140.2	-179.4	-178.7	78	0	0	0	0	110.5	E634 V635 P636	S632-E634 WeakPolarHBondContact CB-OE2 3.43Å; S632-E634 PolarHBondContact O-N 3.35Å; S632-E634 PolarHBondContact OG-N 2.79Å; S632-E634 PolarHBondContact OG-OE2 2.68Å; S632-V635 PolarHBondContact N-O 3.28Å; S632-V635 VanDerWaalsContact N-O 3.1Å; S632-V635 CarbonylContact O-C 3.57Å; S632-V635 PolarHBondContact O-N 3.31Å; S632-V635 PolarHBondContact OG-N 2.89Å; S632-V635 VanDerWaalsContact OG-N 3.15Å; S632-P636 WeakPolarHBondContact O-CA 3.35Å; S632-P636 WeakPolarHBondContact O-CB 3.28Å
633	K	90	Very high	92.7	Very high	196 Å²	196	53.8 Å²	53.8	85%	0.852	27%	0.271	S	S	*	.	S	Bend	trans	-67.2	-28.8	176.8	-66.7	177.5	-179.3	175.7	0	112
634	E	93.1	Very high	92.6	Very high	149 Å²	149	54 Å²	54	70%	0.696	27%	0.272	S	S	*	.	S	Bend	trans	-82.9	-34.5	-179.7	-50	67.5	-142.2	0	0	111.3	S632	S632-E634 WeakPolarHBondContact CB-OE2 3.43Å; S632-E634 PolarHBondContact O-N 3.35Å; S632-E634 PolarHBondContact OG-N 2.79Å; S632-E634 PolarHBondContact OG-OE2 2.68Å
635	V	92.3	Very high	92.8	Very high	72 Å²	72	52.1 Å²	52.1	44%	0.436	26%	0.263	S	S	.	.	S	Bend	trans	-128	73	175.6	-169.9	0	0	0	0	109.8	V631 S632 K637	V631-V635 WeakPolarHBondContact CA-O 3.32Å; V631-V635 WeakPolarHBondContact CB-O 3.19Å; S632-V635 PolarHBondContact N-O 3.28Å; S632-V635 VanDerWaalsContact N-O 3.1Å; S632-V635 CarbonylContact O-C 3.57Å; S632-V635 PolarHBondContact O-N 3.31Å; S632-V635 PolarHBondContact OG-N 2.89Å; S632-V635 VanDerWaalsContact OG-N 3.15Å; V635-K637 VanDerWaalsContact C-N 3.34Å; V635-K637 PolarHBondContact O-N 3.15Å
636	P	91.4	Very high	93.1	Very high	79 Å²	79	53.5 Å²	53.5	51%	0.513	27%	0.268	S	S	.	.			trans	-77.7	-14.5	-170.4	29.6	-36.6	0	0	0	114.6	S632	S632-P636 WeakPolarHBondContact O-CA 3.35Å; S632-P636 WeakPolarHBondContact O-CB 3.28Å
637	K	95	Very high	93.5	Very high	90 Å²	90	53.9 Å²	53.9	39%	0.391	27%	0.268	S	S	.	.			trans	-139.5	148.7	179.7	-65.7	-154.1	179.7	-143.1	0	112.3	V635 P657 Y658 E661	V635-K637 VanDerWaalsContact C-N 3.34Å; V635-K637 PolarHBondContact O-N 3.15Å; K637-P657 HydrophobicContact CB-CB 3.92Å; K637-P657 HydrophobicContact CD-CB 4.25Å; K637-P657 VanDerWaalsContact CD-O 3.28Å; K637-P657 WeakPolarHBondContact CD-O 3.42Å; K637-Y658 CarbonylContact C-O 3.17Å; K637-Y658 VanDerWaalsContact CA-O 3.22Å; K637-Y658 WeakPolarHBondContact CA-O 3.3Å; K637-Y658 VanDerWaalsContact CB-O 3.28Å; K637-Y658 WeakPolarHBondContact CB-O 3.26Å; K637-E661 IonicContact NZ-OE1 2.68Å; K637-E661 PolarHBondContact NZ-OE1 3.33Å
638	R	94.3	Very high	93.8	Very high	82 Å²	82	53 Å²	53	31%	0.309	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-100.5	157.5	176.4	-51.1	-61.4	-74.1	151.9	-10.4	110.1	I603 A629 V631 P657 Y658	I603-R638 HydrophobicContact CD1-CG 3.93Å; A629-R638 HydrophobicContact CB-CG 3.95Å; V631-R638 HydrophobicContact CG1-CG 3.9Å; R638-P657 WeakPolarHBondContact O-CA 3.39Å; R638-Y658 HydrophobicContact CB-CD2 4.3Å; R638-Y658 HydrophobicContact CB-CE1 4.27Å; R638-Y658 HydrophobicContact CB-CE2 3.71Å; R638-Y658 HydrophobicContact CG-CE2 4.36Å; R638-Y658 PolarHBondContact N-O 3.46Å; R638-Y658 WeakPolarHBondContact O-CD1 3.44Å; R638-Y658 PolarHBondContact O-N 3.19Å
639	K	93.6	Very high	94	Very high	137 Å²	137	53 Å²	53	60%	0.596	27%	0.265	S	S	*	.			trans	-129.4	4.1	175.5	-47.8	-168.8	-167.5	-169.5	0	113.8	P657	K639-P657 HydrophobicContact CD-CG 4.15Å; K639-P657 HydrophobicContact CG-CB 4.28Å; K639-P657 HydrophobicContact CG-CG 4.28Å
640	S	91.8	Very high	94.2	Very high	27 Å²	27	53 Å²	53	19%	0.189	26%	0.264	C	S	.	.			trans	-81.2	130.9	-177.1	60.4	0	0	0	0	110.8	R605 V642 Y658	R605-S640 PolarHBondContact NH1-OG 3.17Å; S640-V642 PolarHBondContact O-N 2.94Å; S640-Y658 WeakPolarHBondContact O-CE1 3.37Å; S640-Y658 PolarHBondContact O-OH 3.48Å; S640-Y658 PolarHBondContact OG-OH 3.26Å
641	L	93.6	Very high	94.4	Very high	27 Å²	27	49.4 Å²	49.4	14%	0.141	25%	0.248	C	C	.	.			trans	-75.7	114.3	170.6	-174.4	48.7	0	0	0	109.2	F104 M648 V652 R655	F104-L641 HydrophobicContact CE2-CD2 3.35Å; F104-L641 HydrophobicContact CE2-CG 4.46Å; F104-L641 HydrophobicContact CZ-CD2 3.42Å; F104-L641 VanDerWaalsContact CZ-CD2 3.42Å; F104-L641 HydrophobicContact CZ-CG 4.08Å; L641-M648 HydrophobicContact CD1-CE 3.86Å; L641-M648 HydrophobicContact CD1-SD 3.42Å; L641-M648 WeakPolarHBondContact CD1-SD 3.33Å; L641-M648 HydrophobicContact CG-CE 4.47Å; L641-V652 HydrophobicContact CD1-CG1 3.75Å; L641-R655 VanDerWaalsContact CB-CZ 3.4Å
642	V	91.3	Very high	94.6	Very high	12 Å²	12	48.7 Å²	48.7	7%	0.073	24%	0.243	C	C	.	.			trans	-151.8	153.6	-174	-178.6	0	0	0	0	107.1	F627 S640	F627-V642 HydrophobicContact CB-CG1 3.76Å; F627-V642 HydrophobicContact CD1-CG1 3.97Å; F627-V642 HydrophobicContact CD2-CG1 3.93Å; F627-V642 HydrophobicContact CG-CG1 3.6Å; S640-V642 PolarHBondContact O-N 2.94Å
643	G	92.1	Very high	94.9	Very high	12 Å²	12	46.3 Å²	46.3	12%	0.124	23%	0.227	C	C	.	.	S	Bend	trans	110.9	179.8	-177.3	0	0	0	0	0	112.8	R605 M648	R605-G643 WeakPolarHBondContact O-CA 3.44Å; G643-M648 WeakPolarHBondContact O-CE 3.49Å
644	T	93.8	Very high	95.2	Very high	13 Å²	13	38.2 Å²	38.2	8%	0.08	19%	0.194	C	C	.	.			trans	-92.6	123.3	179	-53.4	0	0	0	0	110.8	D606 K608 Y646 W647 M648	D606-T644 VanDerWaalsContact OD1-CB 3.23Å; D606-T644 WeakPolarHBondContact OD1-CB 3.36Å; D606-T644 PolarHBondContact OD1-N 2.67Å; D606-T644 PolarHBondContact OD1-OG1 3.01Å; D606-T644 PolarHBondContact OD2-OG1 3.2Å; K608-T644 PolarHBondContact NZ-OG1 3.44Å; T644-Y646 PolarHBondContact O-N 3.01Å; T644-W647 HydrophobicContact CG2-CE3 3.55Å; T644-W647 HydrophobicContact CG2-CZ3 3.41Å; T644-W647 VanDerWaalsContact CG2-CZ3 3.41Å; T644-W647 PolarHBondContact O-N 2.95Å; T644-M648 PolarHBondContact O-N 3.27Å
645	P	95.8	Very high	95.2	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.032	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-38.1	-164.2	-35.5	36.3	0	0	0	118.9	V109 W647 M648 P686 M690	V109-P645 HydrophobicContact CG1-CG 3.56Å; P645-W647 VanDerWaalsContact C-N 3.33Å; P645-M648 HydrophobicContact CG-CE 4.32Å; P645-P686 HydrophobicContact CB-CB 3.9Å; P645-P686 HydrophobicContact CG-CB 3.95Å; P645-M690 HydrophobicContact CB-CE 4.36Å; P645-M690 HydrophobicContact CB-CG 3.87Å; P645-M690 HydrophobicContact CB-SD 3.97Å; P645-M690 HydrophobicContact CG-SD 4.33Å
646	Y	97.6	Very high	95.4	Very high	29 Å²	29	37.2 Å²	37.2	11%	0.114	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-20.6	-176.1	-53.1	-89.1	0	0	0	112.9	T644 P679 Y681 E684 P686 A689	T644-Y646 PolarHBondContact O-N 3.01Å; Y646-P679 HydrophobicContact CG-CG 4.5Å; Y646-Y681 VanDerWaalsContact CE1-O 3.29Å; Y646-Y681 WeakPolarHBondContact CE1-O 3.25Å; Y646-E684 PolarHBondContact OH-O 2.63Å; Y646-P686 HydrophobicContact CE2-CG 4.3Å; Y646-P686 WeakPolarHBondContact OH-CD 3.49Å; Y646-A689 HydrophobicContact CD1-CB 3.5Å; Y646-A689 HydrophobicContact CE1-CB 3.46Å; Y646-A689 VanDerWaalsContact CE1-CB 3.46Å
647	W	98.6	Very high	95.6	Very high	12 Å²	12	36.2 Å²	36.2	5%	0.045	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-8.7	178.9	-62.4	-106.4	0	0	0	113.2	K608 T644 P645 S666 I669 E673 P679	K608-W647 HydrophobicContact CB-CD2 3.81Å; K608-W647 VanDerWaalsContact CB-CE2 3.48Å; K608-W647 HydrophobicContact CB-CG 3.89Å; K608-W647 HydrophobicContact CB-CZ2 4Å; K608-W647 VanDerWaalsContact CB-NE1 3.33Å; T644-W647 HydrophobicContact CG2-CE3 3.55Å; T644-W647 HydrophobicContact CG2-CZ3 3.41Å; T644-W647 VanDerWaalsContact CG2-CZ3 3.41Å; T644-W647 PolarHBondContact O-N 2.95Å; P645-W647 VanDerWaalsContact C-N 3.33Å; W647-S666 WeakPolarHBondContact O-CA 3.47Å; W647-S666 WeakPolarHBondContact O-CB 3.41Å; W647-S666 PolarHBondContact O-OG 3.33Å; W647-I669 HydrophobicContact CB-CB 4.42Å; W647-I669 HydrophobicContact CB-CG2 4.29Å; W647-I669 VanDerWaalsContact CD1-CG2 3.44Å; W647-I669 HydrophobicContact CD2-CG2 4.42Å; W647-I669 HydrophobicContact CG-CB 4.26Å; W647-I669 HydrophobicContact CG-CG2 3.78Å; W647-E673 WeakPolarHBondContact CZ2-OE1 3.36Å; W647-E673 PolarHBondContact NE1-OE2 2.92Å; W647-P679 HydrophobicContact CH2-CG 3.76Å; W647-P679 HydrophobicContact CZ2-CB 4.09Å; W647-P679 HydrophobicContact CZ2-CG 3.67Å; W647-P679 HydrophobicContact CZ3-CG 4.28Å
648	M	98.3	Very high	95.8	Very high	13 Å²	13	32 Å²	32	6%	0.064	16%	0.157	C	C	.	.			trans	-62.1	139	-178.5	-71.3	-178.2	-178.5	0	0	112.4	L641 G643 T644 P645 I653 W665 M690	L641-M648 HydrophobicContact CD1-CE 3.86Å; L641-M648 HydrophobicContact CD1-SD 3.42Å; L641-M648 WeakPolarHBondContact CD1-SD 3.33Å; L641-M648 HydrophobicContact CG-CE 4.47Å; G643-M648 WeakPolarHBondContact O-CE 3.49Å; T644-M648 PolarHBondContact O-N 3.27Å; P645-M648 HydrophobicContact CG-CE 4.32Å; M648-I653 HydrophobicContact CB-CD1 3.92Å; M648-I653 HydrophobicContact CB-CG1 3.84Å; M648-I653 HydrophobicContact SD-CG1 4.06Å; M648-W665 PolarHBondContact O-NE1 3.33Å; M648-W665 VanDerWaalsContact O-NE1 3.16Å; M648-M690 HydrophobicContact CE-SD 4.45Å; M648-M690 HydrophobicContact SD-CG 4.45Å; M648-M690 HydrophobicContact SD-SD 3.8Å
649	A	98.6	Very high	96	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	15%	0.145	C	C	.	.			trans	-72.1	147.8	173.2	0	0	0	0	0	112.4	E651 V652 I653 V662 W665	A649-E651 VanDerWaalsContact CB-CD 3.49Å; A649-E651 HydrophobicContact CB-CG 4.44Å; A649-E651 WeakPolarHBondContact CB-OE1 3.38Å; A649-E651 WeakPolarHBondContact CB-OE2 3.4Å; A649-E651 PolarHBondContact O-N 3.49Å; A649-V652 HydrophobicContact CB-CG2 4.11Å; A649-V652 WeakPolarHBondContact O-CB 3.14Å; A649-V652 PolarHBondContact O-N 3.03Å; A649-I653 PolarHBondContact O-N 2.73Å; A649-V662 HydrophobicContact CB-CB 4.02Å; A649-V662 HydrophobicContact CB-CG1 4.12Å; A649-W665 VanDerWaalsContact CA-CD1 3.41Å; A649-W665 HydrophobicContact CB-CB 3.75Å; A649-W665 HydrophobicContact CB-CD2 4.38Å; A649-W665 HydrophobicContact CB-CG 3.7Å
650	P	98.3	Very high	96.2	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.019	13%	0.128	C	C	.	.	H	α-helix	trans	-60.3	-31.5	-174.4	23.6	-34.1	0	0	0	113.1	S654 W665 I693	P650-S654 VanDerWaalsContact O-CB 3.26Å; P650-S654 WeakPolarHBondContact O-CB 3.39Å; P650-S654 PolarHBondContact O-N 3.21Å; P650-S654 PolarHBondContact O-OG 2.96Å; P650-W665 HydrophobicContact CG-CE3 4.36Å; P650-W665 HydrophobicContact CG-CH2 4.19Å; P650-W665 HydrophobicContact CG-CZ2 4.46Å; P650-W665 HydrophobicContact CG-CZ3 4.13Å; P650-I693 HydrophobicContact CB-CG2 4.42Å
651	E	98.2	Very high	96.5	Very high	6 Å²	6	24.3 Å²	24.3	3%	0.028	13%	0.128	C	C	.	.	H	α-helix	trans	-66.9	-35.8	175.1	64.8	-85.4	-157.6	0	0	112.9	A649 S654 R655 I656 V662 P723 R726	A649-E651 VanDerWaalsContact CB-CD 3.49Å; A649-E651 HydrophobicContact CB-CG 4.44Å; A649-E651 WeakPolarHBondContact CB-OE1 3.38Å; A649-E651 WeakPolarHBondContact CB-OE2 3.4Å; A649-E651 PolarHBondContact O-N 3.49Å; E651-S654 CarbonylContact O-C 3.56Å; E651-S654 PolarHBondContact O-N 3Å; E651-R655 PolarHBondContact O-N 2.95Å; E651-R655 VanDerWaalsContact O-N 3.14Å; E651-I656 HydrophobicContact CB-CB 4.06Å; E651-I656 HydrophobicContact CB-CG2 4.27Å; E651-I656 PolarHBondContact O-N 3.43Å; E651-V662 HydrophobicContact CG-CG1 4.19Å; E651-P723 HydrophobicContact CB-CG 4.14Å; E651-P723 HydrophobicContact CG-CG 3.87Å; E651-R726 IonicContact OE1-CZ 3.64Å; E651-R726 IonicContact OE1-NH1 3.84Å; E651-R726 PolarHBondContact OE1-NH1 3.24Å; E651-R726 IonicContact OE1-NH2 2.72Å; E651-R726 PolarHBondContact OE1-NH2 3.08Å; E651-R726 IonicContact OE2-CZ 3.7Å; E651-R726 IonicContact OE2-NH1 2.77Å; E651-R726 IonicContact OE2-NH2 3.81Å; E651-R726 PolarHBondContact OE2-NH2 3.11Å
652	V	97.9	Very high	96.8	Very high	6 Å²	6	23.2 Å²	23.2	4%	0.036	12%	0.123	C	C	.	.	H	α-helix	trans	-66.4	-47.6	177.5	-175.3	0	0	0	0	109.7	L641 A649 S654 R655 Y658 V662	L641-V652 HydrophobicContact CD1-CG1 3.75Å; A649-V652 HydrophobicContact CB-CG2 4.11Å; A649-V652 WeakPolarHBondContact O-CB 3.14Å; A649-V652 PolarHBondContact O-N 3.03Å; V652-S654 VanDerWaalsContact C-N 3.28Å; V652-S654 PolarHBondContact O-N 2.78Å; V652-R655 PolarHBondContact O-N 3.24Å; V652-R655 VanDerWaalsContact O-N 3.09Å; V652-Y658 HydrophobicContact CB-CD1 4.31Å; V652-Y658 HydrophobicContact CB-CE1 4.26Å; V652-Y658 HydrophobicContact CG1-CD1 4.44Å; V652-Y658 HydrophobicContact CG1-CE1 3.9Å; V652-Y658 HydrophobicContact CG2-CD1 3.79Å; V652-Y658 HydrophobicContact CG2-CD2 4.3Å; V652-Y658 HydrophobicContact CG2-CE1 3.94Å; V652-Y658 HydrophobicContact CG2-CE2 4.45Å; V652-Y658 HydrophobicContact CG2-CG 3.98Å; V652-V662 HydrophobicContact CG2-CB 3.98Å; V652-V662 HydrophobicContact CG2-CG1 3.44Å; V652-V662 VanDerWaalsContact CG2-CG1 3.44Å
653	I	97.3	Very high	97.1	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-61.9	-38.6	175.9	-60.4	161.7	0	0	0	110.5	M648 A649 R655 M690 I693 R694	M648-I653 HydrophobicContact CB-CD1 3.92Å; M648-I653 HydrophobicContact CB-CG1 3.84Å; M648-I653 HydrophobicContact SD-CG1 4.06Å; A649-I653 PolarHBondContact O-N 2.73Å; I653-R655 PolarHBondContact O-N 3.33Å; I653-M690 HydrophobicContact CD1-CB 4.1Å; I653-M690 HydrophobicContact CD1-CG 4.06Å; I653-M690 HydrophobicContact CG1-CB 4.34Å; I653-M690 HydrophobicContact CG1-CG 4.17Å; I653-M690 HydrophobicContact CG2-CB 4.01Å; I653-I693 HydrophobicContact CD1-CB 3.85Å; I653-I693 HydrophobicContact CD1-CD1 4.48Å; I653-I693 HydrophobicContact CD1-CG2 3.61Å; I653-R694 HydrophobicContact CG2-CB 4.01Å; I653-R694 HydrophobicContact CG2-CG 4.35Å
654	S	95.6	Very high	97.5	Very high	25 Å²	25	22.1 Å²	22.1	18%	0.175	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-3.2	176.9	-56.3	0	0	0	0	114.5	P650 E651 V652 I656 R694	P650-S654 VanDerWaalsContact O-CB 3.26Å; P650-S654 WeakPolarHBondContact O-CB 3.39Å; P650-S654 PolarHBondContact O-N 3.21Å; P650-S654 PolarHBondContact O-OG 2.96Å; E651-S654 CarbonylContact O-C 3.56Å; E651-S654 PolarHBondContact O-N 3Å; V652-S654 VanDerWaalsContact C-N 3.28Å; V652-S654 PolarHBondContact O-N 2.78Å; S654-I656 PolarHBondContact O-N 3.44Å; S654-R694 WeakPolarHBondContact OG-CG 3.12Å
655	R	93.9	Very high	97.7	Very high	113 Å²	113	21.5 Å²	21.5	43%	0.426	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	20.3	-172.5	-50.6	-59.3	-164.8	122.3	-0.7	114.4	L641 E651 V652 I653	L641-R655 VanDerWaalsContact CB-CZ 3.4Å; E651-R655 PolarHBondContact O-N 2.95Å; E651-R655 VanDerWaalsContact O-N 3.14Å; V652-R655 PolarHBondContact O-N 3.24Å; V652-R655 VanDerWaalsContact O-N 3.09Å; I653-R655 PolarHBondContact O-N 3.33Å
656	I	95.7	Very high	97.8	Very high	87 Å²	87	21.5 Å²	21.5	45%	0.446	11%	0.11	S	C	.	.			trans	-70.8	146.9	176	-67.2	171.1	0	0	0	108.5	E651 S654 Y658	E651-I656 HydrophobicContact CB-CB 4.06Å; E651-I656 HydrophobicContact CB-CG2 4.27Å; E651-I656 PolarHBondContact O-N 3.43Å; S654-I656 PolarHBondContact O-N 3.44Å; I656-Y658 WeakPolarHBondContact O-CD1 3.47Å; I656-Y658 PolarHBondContact O-N 2.78Å
657	P	97.3	Very high	97.9	Very high	58 Å²	58	20.1 Å²	20.1	38%	0.377	10%	0.104	S	C	.	.			trans	-64.3	119.2	176.9	-18.1	32	0	0	0	111.3	K637 R638 K639	K637-P657 HydrophobicContact CB-CB 3.92Å; K637-P657 HydrophobicContact CD-CB 4.25Å; K637-P657 VanDerWaalsContact CD-O 3.28Å; K637-P657 WeakPolarHBondContact CD-O 3.42Å; R638-P657 WeakPolarHBondContact O-CA 3.39Å; K639-P657 HydrophobicContact CD-CG 4.15Å; K639-P657 HydrophobicContact CG-CB 4.28Å; K639-P657 HydrophobicContact CG-CG 4.28Å
658	Y	98	Very high	97.9	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.008	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-121.9	154.8	-174.7	66.9	-101.9	0	0	0	112.1	R605 K637 R638 S640 V652 I656 V662	R605-Y658 WeakPolarHBondContact CD-OH 3.43Å; R605-Y658 HydrophobicContact CG-CE2 4.44Å; R605-Y658 PolarHBondContact NH1-OH 3.43Å; K637-Y658 CarbonylContact C-O 3.17Å; K637-Y658 VanDerWaalsContact CA-O 3.22Å; K637-Y658 WeakPolarHBondContact CA-O 3.3Å; K637-Y658 VanDerWaalsContact CB-O 3.28Å; K637-Y658 WeakPolarHBondContact CB-O 3.26Å; R638-Y658 HydrophobicContact CB-CD2 4.3Å; R638-Y658 HydrophobicContact CB-CE1 4.27Å; R638-Y658 HydrophobicContact CB-CE2 3.71Å; R638-Y658 HydrophobicContact CG-CE2 4.36Å; R638-Y658 PolarHBondContact N-O 3.46Å; R638-Y658 WeakPolarHBondContact O-CD1 3.44Å; R638-Y658 PolarHBondContact O-N 3.19Å; S640-Y658 WeakPolarHBondContact O-CE1 3.37Å; S640-Y658 PolarHBondContact O-OH 3.48Å; S640-Y658 PolarHBondContact OG-OH 3.26Å; V652-Y658 HydrophobicContact CB-CD1 4.31Å; V652-Y658 HydrophobicContact CB-CE1 4.26Å; V652-Y658 HydrophobicContact CG1-CD1 4.44Å; V652-Y658 HydrophobicContact CG1-CE1 3.9Å; V652-Y658 HydrophobicContact CG2-CD1 3.79Å; V652-Y658 HydrophobicContact CG2-CD2 4.3Å; V652-Y658 HydrophobicContact CG2-CE1 3.94Å; V652-Y658 HydrophobicContact CG2-CE2 4.45Å; V652-Y658 HydrophobicContact CG2-CG 3.98Å; I656-Y658 WeakPolarHBondContact O-CD1 3.47Å; I656-Y658 PolarHBondContact O-N 2.78Å; Y658-V662 HydrophobicContact CD2-CB 4.49Å; Y658-V662 HydrophobicContact CD2-CG1 3.53Å; Y658-V662 HydrophobicContact CD2-CG2 4.14Å; Y658-V662 HydrophobicContact CE2-CG1 4.37Å; Y658-V662 HydrophobicContact CE2-CG2 4.38Å; Y658-V662 HydrophobicContact CG-CG1 3.72Å
659	G	98	Very high	97.9	Very high	5 Å²	5	19 Å²	19	5%	0.052	10%	0.099	C	C	.	.			trans	-118.1	-138.4	175	0	0	0	0	0	111.3	I603 E661	I603-G659 VanDerWaalsContact CD1-C 3.5Å; I603-G659 WeakPolarHBondContact CD1-O 3.08Å; I603-G659 WeakPolarHBondContact CG2-O 3.19Å; G659-E661 VanDerWaalsContact C-N 3.25Å; G659-E661 WeakPolarHBondContact CA-OE2 3.31Å; G659-E661 PolarHBondContact N-OE2 3.23Å; G659-E661 PolarHBondContact O-N 2.79Å
660	T	98.4	Very high	97.9	Very high	40 Å²	40	18.9 Å²	18.9	25%	0.245	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-15.3	-179.8	47.2	0	0	0	0	114.3	H598 I603 V662 D663	H598-T660 HydrophobicContact CB-CG2 3.88Å; H598-T660 PolarHBondContact CE1-O 3.44Å; I603-T660 HydrophobicContact CG1-CG2 3.92Å; T660-V662 PolarHBondContact O-N 2.92Å; T660-V662 VanDerWaalsContact O-N 3.09Å; T660-D663 PolarHBondContact O-N 3.02Å
661	E	98.7	Very high	97.9	Very high	40 Å²	40	18.8 Å²	18.8	19%	0.187	10%	0.098	C	C	.	.	H	α-helix	trans	-62.7	-23.8	-173.8	-39.8	91.3	151.2	0	0	111.9	K637 G659 D663 I664 W665 P723 R726	K637-E661 IonicContact NZ-OE1 2.68Å; K637-E661 PolarHBondContact NZ-OE1 3.33Å; G659-E661 VanDerWaalsContact C-N 3.25Å; G659-E661 WeakPolarHBondContact CA-OE2 3.31Å; G659-E661 PolarHBondContact N-OE2 3.23Å; G659-E661 PolarHBondContact O-N 2.79Å; E661-D663 VanDerWaalsContact C-N 3.35Å; E661-D663 PolarHBondContact O-N 3.36Å; E661-I664 PolarHBondContact O-N 3.12Å; E661-W665 PolarHBondContact O-N 3.4Å; E661-P723 HydrophobicContact CB-CB 4.03Å; E661-P723 HydrophobicContact CG-CB 4.1Å; E661-R726 VanDerWaalsContact C-NH1 3.29Å; E661-R726 WeakPolarHBondContact O-CD 3.28Å; E661-R726 PolarHBondContact O-NH1 2.98Å
662	V	98.8	Very high	97.9	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.024	10%	0.097	C	C	.	.	H	α-helix	trans	-66.3	-34	-177.7	-54.7	0	0	0	0	112.9	I603 R605 A649 E651 V652 Y658 T660 I664 W665 S666	I603-V662 HydrophobicContact CG2-CG2 3.56Å; R605-V662 HydrophobicContact CG-CG2 4.27Å; A649-V662 HydrophobicContact CB-CB 4.02Å; A649-V662 HydrophobicContact CB-CG1 4.12Å; E651-V662 HydrophobicContact CG-CG1 4.19Å; V652-V662 HydrophobicContact CG2-CB 3.98Å; V652-V662 HydrophobicContact CG2-CG1 3.44Å; V652-V662 VanDerWaalsContact CG2-CG1 3.44Å; Y658-V662 HydrophobicContact CD2-CB 4.49Å; Y658-V662 HydrophobicContact CD2-CG1 3.53Å; Y658-V662 HydrophobicContact CD2-CG2 4.14Å; Y658-V662 HydrophobicContact CE2-CG1 4.37Å; Y658-V662 HydrophobicContact CE2-CG2 4.38Å; Y658-V662 HydrophobicContact CG-CG1 3.72Å; T660-V662 PolarHBondContact O-N 2.92Å; T660-V662 VanDerWaalsContact O-N 3.09Å; V662-I664 PolarHBondContact O-N 2.9Å; V662-W665 PolarHBondContact O-N 3.47Å; V662-S666 PolarHBondContact O-N 3.22Å; V662-S666 PolarHBondContact O-OG 2.96Å; V662-S666 VanDerWaalsContact O-OG 3.11Å
663	D	98.9	Very high	97.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-68.6	-30.2	-179.5	-63.5	-28.9	0	0	0	111.1	L594 H598 H604 R605 I607 T660 E661 S666 L667	L594-D663 HydrophobicContact CD1-CB 4.18Å; L594-D663 HydrophobicContact CD2-CB 3.82Å; H598-D663 IonicContact CD2-OD2 3.24Å; H598-D663 IonicContact CE1-OD2 2.79Å; H598-D663 IonicContact NE2-OD2 3.25Å; H598-D663 PolarHBondContact NE2-OD2 2.75Å; H604-D663 PolarHBondContact N-OD1 3.33Å; H604-D663 PolarHBondContact N-OD2 3.19Å; R605-D663 WeakPolarHBondContact CA-OD1 3.49Å; R605-D663 PolarHBondContact N-OD1 2.7Å; I607-D663 HydrophobicContact CG1-CB 4.16Å; T660-D663 PolarHBondContact O-N 3.02Å; E661-D663 VanDerWaalsContact C-N 3.35Å; E661-D663 PolarHBondContact O-N 3.36Å; D663-S666 PolarHBondContact O-N 3.4Å; D663-L667 WeakPolarHBondContact O-CB 3.42Å; D663-L667 PolarHBondContact O-N 3.08Å
664	I	98.9	Very high	97.8	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.098	C	C	.	.	H	α-helix	trans	-71	-40.1	177	-52.1	-55.5	0	0	0	111.3	L591 L594 E661 V662 S666 L667 G668 M718 R726 A727 A729 L732	L591-I664 HydrophobicContact CD2-CD1 4.37Å; L594-I664 HydrophobicContact CD1-CD1 4.37Å; E661-I664 PolarHBondContact O-N 3.12Å; V662-I664 PolarHBondContact O-N 2.9Å; I664-S666 VanDerWaalsContact C-N 3.34Å; I664-L667 PolarHBondContact O-N 2.97Å; I664-G668 PolarHBondContact O-N 3.21Å; I664-M718 HydrophobicContact CG2-CB 4.07Å; I664-M718 HydrophobicContact CG2-CG 3.73Å; I664-R726 HydrophobicContact CG2-CG 4.22Å; I664-A727 WeakPolarHBondContact CG2-O 3.28Å; I664-A729 HydrophobicContact CD1-CB 3.95Å; I664-L732 HydrophobicContact CD1-CD1 4.33Å; I664-L732 HydrophobicContact CG2-CD1 3.42Å; I664-L732 VanDerWaalsContact CG2-CD1 3.42Å
665	W	98.9	Very high	97.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.9	-47.2	171.4	174.8	-78.8	0	0	0	110.4	M648 A649 P650 E661 V662 L667 G668 I669 I693 P698 L719 R721	M648-W665 PolarHBondContact O-NE1 3.33Å; M648-W665 VanDerWaalsContact O-NE1 3.16Å; A649-W665 VanDerWaalsContact CA-CD1 3.41Å; A649-W665 HydrophobicContact CB-CB 3.75Å; A649-W665 HydrophobicContact CB-CD2 4.38Å; A649-W665 HydrophobicContact CB-CG 3.7Å; P650-W665 HydrophobicContact CG-CE3 4.36Å; P650-W665 HydrophobicContact CG-CH2 4.19Å; P650-W665 HydrophobicContact CG-CZ2 4.46Å; P650-W665 HydrophobicContact CG-CZ3 4.13Å; E661-W665 PolarHBondContact O-N 3.4Å; V662-W665 PolarHBondContact O-N 3.47Å; W665-L667 VanDerWaalsContact C-N 3.32Å; W665-L667 PolarHBondContact O-N 3.49Å; W665-G668 WeakPolarHBondContact O-CA 3.38Å; W665-G668 PolarHBondContact O-N 2.93Å; W665-I669 PolarHBondContact O-N 3.34Å; W665-I693 HydrophobicContact CZ2-CG2 3.93Å; W665-P698 HydrophobicContact CH2-CB 4.41Å; W665-L719 HydrophobicContact CD2-CD2 4.01Å; W665-L719 HydrophobicContact CE3-CD2 4.18Å; W665-L719 HydrophobicContact CG-CD2 4.43Å; W665-L719 HydrophobicContact CZ2-CD2 4.4Å; W665-L719 HydrophobicContact CZ3-CB 4.39Å; W665-L719 HydrophobicContact CZ3-CD2 4.46Å; W665-L719 WeakPolarHBondContact CZ3-O 3.36Å; W665-R721 HydrophobicContact CZ3-CG 4.49Å
666	S	98.9	Very high	97.8	Very high	5 Å²	5	13.8 Å²	13.8	4%	0.035	8%	0.078	C	C	.	.	H	α-helix	trans	-61.3	-37.6	178.6	-60.6	0	0	0	0	112.6	I607 W647 V662 D663 I664 I669 M670	I607-S666 WeakPolarHBondContact O-CB 3.37Å; W647-S666 WeakPolarHBondContact O-CA 3.47Å; W647-S666 WeakPolarHBondContact O-CB 3.41Å; W647-S666 PolarHBondContact O-OG 3.33Å; V662-S666 PolarHBondContact O-N 3.22Å; V662-S666 PolarHBondContact O-OG 2.96Å; V662-S666 VanDerWaalsContact O-OG 3.11Å; D663-S666 PolarHBondContact O-N 3.4Å; I664-S666 VanDerWaalsContact C-N 3.34Å; S666-I669 PolarHBondContact O-N 3.46Å; S666-M670 PolarHBondContact O-N 3.36Å
667	L	98.9	Very high	97.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.9	-41.3	169.6	177.7	63.2	0	0	0	112.2	V590 L591 L594 I607 D663 I664 W665 I669 M670 V671 M718	V590-L667 HydrophobicContact CB-CD1 4.4Å; V590-L667 HydrophobicContact CG1-CD1 4.02Å; L591-L667 HydrophobicContact CD1-CD2 4.29Å; L591-L667 HydrophobicContact CD2-CD2 3.53Å; L591-L667 HydrophobicContact CG-CD2 3.66Å; L594-L667 HydrophobicContact CD1-CD2 4.41Å; I607-L667 HydrophobicContact CG2-CB 4.2Å; D663-L667 WeakPolarHBondContact O-CB 3.42Å; D663-L667 PolarHBondContact O-N 3.08Å; I664-L667 PolarHBondContact O-N 2.97Å; W665-L667 VanDerWaalsContact C-N 3.32Å; W665-L667 PolarHBondContact O-N 3.49Å; L667-I669 VanDerWaalsContact C-N 3.29Å; L667-I669 PolarHBondContact O-N 3.12Å; L667-M670 HydrophobicContact CD1-CE 3.73Å; L667-M670 CarbonylContact O-C 3.32Å; L667-M670 WeakPolarHBondContact O-CA 3.39Å; L667-M670 WeakPolarHBondContact O-CB 3.32Å; L667-M670 PolarHBondContact O-N 3.2Å; L667-M670 VanDerWaalsContact O-N 3.1Å; L667-V671 WeakPolarHBondContact O-CG2 3.44Å; L667-V671 PolarHBondContact O-N 2.73Å; L667-M718 HydrophobicContact CB-SD 4.33Å; L667-M718 HydrophobicContact CD2-SD 3.84Å; L667-M718 HydrophobicContact CG-SD 3.81Å
668	G	98.8	Very high	97.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-58.7	-39.9	172.5	0	0	0	0	0	112.7	I664 W665 V671 I672 L715	I664-G668 PolarHBondContact O-N 3.21Å; W665-G668 WeakPolarHBondContact O-CA 3.38Å; W665-G668 PolarHBondContact O-N 2.93Å; G668-V671 PolarHBondContact O-N 3.4Å; G668-I672 PolarHBondContact O-N 2.96Å; G668-I672 VanDerWaalsContact O-N 3.12Å; G668-L715 VanDerWaalsContact O-CD1 3.23Å; G668-L715 WeakPolarHBondContact O-CD1 3.23Å
669	I	98.8	Very high	97.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-66.3	-39.9	172.7	-58.2	-62.3	0	0	0	111.4	W647 W665 S666 L667 V671 I672 E673 P679 P680 P699 L719	W647-I669 HydrophobicContact CB-CB 4.42Å; W647-I669 HydrophobicContact CB-CG2 4.29Å; W647-I669 VanDerWaalsContact CD1-CG2 3.44Å; W647-I669 HydrophobicContact CD2-CG2 4.42Å; W647-I669 HydrophobicContact CG-CB 4.26Å; W647-I669 HydrophobicContact CG-CG2 3.78Å; W665-I669 PolarHBondContact O-N 3.34Å; S666-I669 PolarHBondContact O-N 3.46Å; L667-I669 VanDerWaalsContact C-N 3.29Å; L667-I669 PolarHBondContact O-N 3.12Å; I669-V671 VanDerWaalsContact C-N 3.25Å; I669-V671 PolarHBondContact O-N 3.17Å; I669-I672 WeakPolarHBondContact O-CB 3.5Å; I669-I672 PolarHBondContact O-N 3.05Å; I669-I672 VanDerWaalsContact O-N 3.14Å; I669-E673 WeakPolarHBondContact O-CB 3.42Å; I669-E673 PolarHBondContact O-N 2.87Å; I669-P679 HydrophobicContact CG2-CB 3.71Å; I669-P680 HydrophobicContact CD1-CG 4Å; I669-P699 HydrophobicContact CD1-CG 3.7Å; I669-L719 HydrophobicContact CD1-CD2 3.85Å; I669-L719 HydrophobicContact CG1-CD2 4.2Å
670	M	98.5	Very high	97.5	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-62.2	-31.2	174.2	-163.2	-174.1	88.6	0	0	112.7	L569 V586 V590 I607 K608 I612 S666 L667 E673 M674	L569-M670 HydrophobicContact CD2-CE 4.26Å; V586-M670 HydrophobicContact CG1-CE 3.68Å; V590-M670 HydrophobicContact CG2-CE 4.33Å; I607-M670 HydrophobicContact CG2-SD 4.32Å; K608-M670 VanDerWaalsContact C-SD 3.55Å; I612-M670 HydrophobicContact CD1-SD 4.24Å; I612-M670 HydrophobicContact CG1-CE 4.11Å; I612-M670 HydrophobicContact CG1-SD 3.57Å; I612-M670 VanDerWaalsContact CG1-SD 3.57Å; S666-M670 PolarHBondContact O-N 3.36Å; L667-M670 HydrophobicContact CD1-CE 3.73Å; L667-M670 CarbonylContact O-C 3.32Å; L667-M670 WeakPolarHBondContact O-CA 3.39Å; L667-M670 WeakPolarHBondContact O-CB 3.32Å; L667-M670 PolarHBondContact O-N 3.2Å; L667-M670 VanDerWaalsContact O-N 3.1Å; M670-E673 WeakPolarHBondContact O-CB 3.26Å; M670-E673 PolarHBondContact O-N 3.31Å; M670-M674 HydrophobicContact CE-CE 3.7Å; M670-M674 HydrophobicContact CE-SD 4.41Å; M670-M674 WeakPolarHBondContact O-CG 3.39Å; M670-M674 PolarHBondContact O-N 3.38Å
671	V	98.5	Very high	97.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-72.9	-35	173.2	169.6	0	0	0	0	112.3	C587 L667 G668 I669 E673 M674 V675 L711 L715 M718	C587-V671 WeakPolarHBondContact SG-CG2 3.37Å; L667-V671 WeakPolarHBondContact O-CG2 3.44Å; L667-V671 PolarHBondContact O-N 2.73Å; G668-V671 PolarHBondContact O-N 3.4Å; I669-V671 VanDerWaalsContact C-N 3.25Å; I669-V671 PolarHBondContact O-N 3.17Å; V671-E673 VanDerWaalsContact C-N 3.35Å; V671-M674 HydrophobicContact CB-CE 4.45Å; V671-M674 HydrophobicContact CG2-CE 3.77Å; V671-V675 WeakPolarHBondContact O-CG2 3.42Å; V671-V675 PolarHBondContact O-N 3.28Å; V671-L711 HydrophobicContact CG1-CD1 3.85Å; V671-L715 HydrophobicContact CB-CD1 4.14Å; V671-L715 HydrophobicContact CG1-CD1 4.05Å; V671-M718 HydrophobicContact CB-CE 4.48Å; V671-M718 HydrophobicContact CG2-CE 4.07Å
672	I	97.6	Very high	97.1	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.015	7%	0.074	C	C	.	.	H	α-helix	trans	-61.5	-47.8	167.9	-67.1	179.7	0	0	0	109.9	G668 I669 M674 V675 D676 P680 P699 L701 L715 L719	G668-I672 PolarHBondContact O-N 2.96Å; G668-I672 VanDerWaalsContact O-N 3.12Å; I669-I672 WeakPolarHBondContact O-CB 3.5Å; I669-I672 PolarHBondContact O-N 3.05Å; I669-I672 VanDerWaalsContact O-N 3.14Å; I672-M674 PolarHBondContact O-N 2.83Å; I672-V675 PolarHBondContact O-N 2.77Å; I672-V675 VanDerWaalsContact O-N 3.08Å; I672-D676 HydrophobicContact CG2-CB 4.35Å; I672-D676 PolarHBondContact O-N 2.7Å; I672-P680 HydrophobicContact CD1-CG 3.76Å; I672-P680 HydrophobicContact CG2-CG 4.1Å; I672-P699 HydrophobicContact CD1-CB 4.03Å; I672-P699 HydrophobicContact CD1-CG 4.05Å; I672-L701 HydrophobicContact CB-CD2 4.19Å; I672-L701 HydrophobicContact CG1-CD2 3.93Å; I672-L701 HydrophobicContact CG2-CD2 4.26Å; I672-L715 HydrophobicContact CG1-CD1 4.34Å; I672-L715 HydrophobicContact CG1-CD2 3.96Å; I672-L719 HydrophobicContact CD1-CD1 3.65Å; I672-L719 HydrophobicContact CG1-CD1 4.33Å
673	E	96.3	Very high	96.9	Very high	8 Å²	8	20.4 Å²	20.4	4%	0.037	11%	0.108	C	C	.	.	H	α-helix	trans	-55.1	-47.8	177.6	160.1	174.4	-136.9	0	0	112.3	V573 S609 W647 I669 M670 V671 V675 G677	V573-E673 HydrophobicContact CG1-CG 3.87Å; V573-E673 WeakPolarHBondContact CG1-O 3.22Å; S609-E673 VanDerWaalsContact CB-CD 3.42Å; S609-E673 VanDerWaalsContact CB-OE1 3.25Å; S609-E673 WeakPolarHBondContact CB-OE1 3.19Å; S609-E673 PolarHBondContact N-OE2 2.76Å; S609-E673 VanDerWaalsContact N-OE2 3.09Å; S609-E673 VanDerWaalsContact OG-CD 3.23Å; S609-E673 PolarHBondContact OG-OE1 2.79Å; W647-E673 WeakPolarHBondContact CZ2-OE1 3.36Å; W647-E673 PolarHBondContact NE1-OE2 2.92Å; I669-E673 WeakPolarHBondContact O-CB 3.42Å; I669-E673 PolarHBondContact O-N 2.87Å; M670-E673 WeakPolarHBondContact O-CB 3.26Å; M670-E673 PolarHBondContact O-N 3.31Å; V671-E673 VanDerWaalsContact C-N 3.35Å; E673-V675 PolarHBondContact O-N 2.93Å; E673-G677 VanDerWaalsContact O-CA 3.24Å; E673-G677 WeakPolarHBondContact O-CA 3.36Å; E673-G677 PolarHBondContact O-N 2.9Å
674	M	97.1	Very high	96.7	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.015	11%	0.114	C	C	.	.	H	α-helix	trans	-63.8	-19.1	176.5	-74.1	-174.6	-74.1	0	0	115.2	L569 V573 M578 I583 V586 M670 V671 I672	L569-M674 HydrophobicContact CD2-CG 4.29Å; L569-M674 HydrophobicContact CD2-SD 3.97Å; V573-M674 HydrophobicContact CG2-CB 4.44Å; V573-M674 HydrophobicContact CG2-CG 3.84Å; M578-M674 HydrophobicContact CE-SD 4.15Å; M578-M674 HydrophobicContact SD-CB 4.22Å; M578-M674 HydrophobicContact SD-CG 3.9Å; M578-M674 HydrophobicContact SD-SD 4Å; I583-M674 HydrophobicContact CD1-CB 4.38Å; I583-M674 HydrophobicContact CG1-CB 4.13Å; I583-M674 HydrophobicContact CG1-SD 4.37Å; I583-M674 HydrophobicContact CG2-CE 4.06Å; V586-M674 HydrophobicContact CB-SD 4.04Å; V586-M674 HydrophobicContact CG1-CE 4.17Å; V586-M674 HydrophobicContact CG1-SD 3.81Å; V586-M674 HydrophobicContact CG2-SD 4.45Å; M670-M674 HydrophobicContact CE-CE 3.7Å; M670-M674 HydrophobicContact CE-SD 4.41Å; M670-M674 WeakPolarHBondContact O-CG 3.39Å; M670-M674 PolarHBondContact O-N 3.38Å; V671-M674 HydrophobicContact CB-CE 4.45Å; V671-M674 HydrophobicContact CG2-CE 3.77Å; I672-M674 PolarHBondContact O-N 2.83Å
675	V	96.1	Very high	96.5	Very high	9 Å²	9	25.3 Å²	25.3	6%	0.055	14%	0.138	C	C	.	.	H	α-helix	trans	-101.1	-45.9	-178.7	174.5	0	0	0	0	112.5	I583 V671 I672 E673 L701 V707 L711	I583-V675 HydrophobicContact CD1-CG2 3.79Å; V671-V675 WeakPolarHBondContact O-CG2 3.42Å; V671-V675 PolarHBondContact O-N 3.28Å; I672-V675 PolarHBondContact O-N 2.77Å; I672-V675 VanDerWaalsContact O-N 3.08Å; E673-V675 PolarHBondContact O-N 2.93Å; V675-L701 HydrophobicContact CB-CD2 3.71Å; V675-L701 HydrophobicContact CG1-CD1 4.41Å; V675-L701 HydrophobicContact CG1-CD2 3.76Å; V675-L701 HydrophobicContact CG2-CD2 4.26Å; V675-V707 HydrophobicContact CG1-CG1 3.75Å; V675-V707 HydrophobicContact CG2-CG1 4.23Å; V675-L711 HydrophobicContact CG2-CD2 4.25Å
676	D	93.7	Very high	96.2	Very high	25 Å²	25	27.3 Å²	27.3	13%	0.134	15%	0.151	C	C	.	.	H	α-helix	trans	-98	-4.9	-174.8	-73.3	-24.9	0	0	0	113.2	I672 E678 L701 K702 E703	I672-D676 HydrophobicContact CG2-CB 4.35Å; I672-D676 PolarHBondContact O-N 2.7Å; D676-E678 VanDerWaalsContact C-N 3.31Å; D676-E678 PolarHBondContact O-N 2.92Å; D676-L701 WeakPolarHBondContact OD2-CA 3.42Å; D676-K702 HydrophobicContact CB-CD 4.12Å; D676-K702 PolarHBondContact OD1-N 2.77Å; D676-K702 WeakPolarHBondContact OD2-CG 3.45Å; D676-K702 PolarHBondContact OD2-N 2.84Å; D676-E703 PolarHBondContact OD1-N 3.48Å
677	G	93.4	Very high	95.9	Very high	30 Å²	30	28.4 Å²	28.4	31%	0.309	16%	0.156	S	C	.	.	S	Bend	trans	82.1	-7.2	176.7	0	0	0	0	0	116.2	E673	E673-G677 VanDerWaalsContact O-CA 3.24Å; E673-G677 WeakPolarHBondContact O-CA 3.36Å; E673-G677 PolarHBondContact O-N 2.9Å
678	E	94.8	Very high	95.7	Very high	62 Å²	62	31.9 Å²	31.9	29%	0.29	17%	0.173	S	C	.	.	S	Bend	trans	-156.8	154.7	177.9	56.8	169.5	-151	0	0	110.4	D676 F682 K702	D676-E678 VanDerWaalsContact C-N 3.31Å; D676-E678 PolarHBondContact O-N 2.92Å; E678-F682 HydrophobicContact CB-CB 4.15Å; E678-F682 HydrophobicContact CB-CD1 4.08Å; E678-F682 HydrophobicContact CB-CG 4.21Å; E678-F682 HydrophobicContact CG-CB 4.45Å; E678-F682 WeakPolarHBondContact OE2-CD1 3.18Å; E678-K702 VanDerWaalsContact CD-NZ 3.34Å; E678-K702 IonicContact OE1-NZ 2.69Å; E678-K702 PolarHBondContact OE1-NZ 2.97Å
679	P	96.6	Very high	95.6	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.019	17%	0.173	C	C	.	.			trans	-69.8	165.2	175.7	31.6	-38.4	0	0	0	112.3	Y646 W647 I669 Y681 F682	Y646-P679 HydrophobicContact CG-CG 4.5Å; W647-P679 HydrophobicContact CH2-CG 3.76Å; W647-P679 HydrophobicContact CZ2-CB 4.09Å; W647-P679 HydrophobicContact CZ2-CG 3.67Å; W647-P679 HydrophobicContact CZ3-CG 4.28Å; I669-P679 HydrophobicContact CG2-CB 3.71Å; P679-Y681 PolarHBondContact O-N 2.98Å; P679-F682 HydrophobicContact CG-CB 4.11Å; P679-F682 HydrophobicContact CG-CD2 3.73Å; P679-F682 HydrophobicContact CG-CG 4.22Å; P679-F682 WeakPolarHBondContact O-CB 3.43Å; P679-F682 PolarHBondContact O-N 3.21Å
680	P	96.4	Very high	95.5	Very high	12 Å²	12	31.9 Å²	31.9	8%	0.078	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	139.3	174.4	-25.1	36.2	0	0	0	112.8	I669 I672 F682 P699	I669-P680 HydrophobicContact CD1-CG 4Å; I672-P680 HydrophobicContact CD1-CG 3.76Å; I672-P680 HydrophobicContact CG2-CG 4.1Å; P680-F682 PolarHBondContact O-N 3.09Å; P680-P699 HydrophobicContact CB-CB 3.67Å; P680-P699 HydrophobicContact CB-CG 4.22Å; P680-P699 HydrophobicContact CG-CB 3.43Å; P680-P699 VanDerWaalsContact CG-CB 3.43Å; P680-P699 HydrophobicContact CG-CG 3.73Å
681	Y	96.2	Very high	95.4	Very high	55 Å²	55	37.2 Å²	37.2	22%	0.216	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	19.2	177.1	-38.8	-60.1	0	0	0	115.2	Y646 P679 N683 E684 R692 I693	Y646-Y681 VanDerWaalsContact CE1-O 3.29Å; Y646-Y681 WeakPolarHBondContact CE1-O 3.25Å; P679-Y681 PolarHBondContact O-N 2.98Å; Y681-N683 PolarHBondContact O-N 2.64Å; Y681-N683 VanDerWaalsContact O-N 3.09Å; Y681-E684 WeakPolarHBondContact O-CB 3.45Å; Y681-E684 PolarHBondContact O-N 3.4Å; Y681-R692 HydrophobicContact CD1-CB 4.43Å; Y681-R692 VanDerWaalsContact CD1-CD 3.43Å; Y681-R692 HydrophobicContact CD2-CB 3.86Å; Y681-R692 HydrophobicContact CE1-CB 4.2Å; Y681-R692 VanDerWaalsContact CE1-CD 3.4Å; Y681-R692 HydrophobicContact CE1-CG 4.47Å; Y681-R692 HydrophobicContact CE2-CB 3.57Å; Y681-R692 HydrophobicContact CG-CB 4.27Å; Y681-I693 HydrophobicContact CD2-CG1 4.1Å; Y681-I693 HydrophobicContact CE2-CG1 4.03Å
682	F	94.1	Very high	95.3	Very high	72 Å²	72	42 Å²	42	32%	0.316	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-28	-179	-170.3	-113.9	0	0	0	114.3	E678 P679 P680 E684	E678-F682 HydrophobicContact CB-CB 4.15Å; E678-F682 HydrophobicContact CB-CD1 4.08Å; E678-F682 HydrophobicContact CB-CG 4.21Å; E678-F682 HydrophobicContact CG-CB 4.45Å; E678-F682 WeakPolarHBondContact OE2-CD1 3.18Å; P679-F682 HydrophobicContact CG-CB 4.11Å; P679-F682 HydrophobicContact CG-CD2 3.73Å; P679-F682 HydrophobicContact CG-CG 4.22Å; P679-F682 WeakPolarHBondContact O-CB 3.43Å; P679-F682 PolarHBondContact O-N 3.21Å; P680-F682 PolarHBondContact O-N 3.09Å; F682-E684 VanDerWaalsContact C-N 3.28Å; F682-E684 PolarHBondContact O-N 2.78Å
683	N	93.5	Very high	95.3	Very high	140 Å²	140	42 Å²	42	75%	0.749	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-3.3	174.8	68.2	-23.5	0	0	0	114.8	Y681	Y681-N683 PolarHBondContact O-N 2.64Å; Y681-N683 VanDerWaalsContact O-N 3.09Å
684	E	94.1	Very high	95.3	Very high	25 Å²	25	42.8 Å²	42.8	12%	0.117	21%	0.214	C	C	.	.	S	Bend	trans	-100.6	153.3	176.7	-58	-160.1	138	0	0	112.2	Y646 Y681 F682 Q688 R692	Y646-E684 PolarHBondContact OH-O 2.63Å; Y681-E684 WeakPolarHBondContact O-CB 3.45Å; Y681-E684 PolarHBondContact O-N 3.4Å; F682-E684 VanDerWaalsContact C-N 3.28Å; F682-E684 PolarHBondContact O-N 2.78Å; E684-Q688 HydrophobicContact CB-CB 4.22Å; E684-Q688 HydrophobicContact CB-CG 4.45Å; E684-Q688 PolarHBondContact OE1-NE2 3.17Å; E684-Q688 WeakPolarHBondContact OE2-CG 3.42Å; E684-R692 IonicContact OE1-CZ 2.68Å; E684-R692 IonicContact OE1-NE 3.78Å; E684-R692 PolarHBondContact OE1-NE 2.73Å; E684-R692 IonicContact OE1-NH2 2.91Å; E684-R692 PolarHBondContact OE1-NH2 3.25Å; E684-R692 WeakPolarHBondContact OE2-CD 3.26Å; E684-R692 IonicContact OE2-CZ 3.13Å; E684-R692 IonicContact OE2-NE 2.73Å; E684-R692 PolarHBondContact OE2-NE 3.21Å
685	P	95.1	Very high	95.2	Very high	79 Å²	79	47.1 Å²	47.1	51%	0.513	24%	0.237	S	C	.	.			trans	-55.3	143.8	170	-24.3	34.4	0	0	0	111.3	L687 Q688 A689	P685-L687 PolarHBondContact O-N 3.42Å; P685-Q688 WeakPolarHBondContact O-CA 3.19Å; P685-Q688 WeakPolarHBondContact O-CB 3.46Å; P685-Q688 PolarHBondContact O-N 3.31Å; P685-A689 PolarHBondContact O-N 3.23Å; P685-A689 VanDerWaalsContact O-N 3.08Å
686	P	92.9	Very high	95.2	Very high	43 Å²	43	49.7 Å²	49.7	28%	0.279	25%	0.25	S	S	.	.	H	α-helix	trans	-53	-36.1	-174.5	-29.5	34	0	0	0	114.7	P645 Y646 Q688 A689 M690	P645-P686 HydrophobicContact CB-CB 3.9Å; P645-P686 HydrophobicContact CG-CB 3.95Å; Y646-P686 HydrophobicContact CE2-CG 4.3Å; Y646-P686 WeakPolarHBondContact OH-CD 3.49Å; P686-Q688 VanDerWaalsContact C-N 3.31Å; P686-Q688 PolarHBondContact O-N 3.28Å; P686-A689 PolarHBondContact O-N 3.09Å; P686-M690 WeakPolarHBondContact O-CB 3.31Å; P686-M690 WeakPolarHBondContact O-CE 3.32Å; P686-M690 WeakPolarHBondContact O-CG 3.47Å; P686-M690 PolarHBondContact O-N 3.14Å
687	L	92.6	Very high	95.3	Very high	27 Å²	27	55.2 Å²	55.2	14%	0.141	28%	0.279	C	S	.	.	H	α-helix	trans	-67.4	-26.8	175.7	-83.7	175.5	0	0	0	114.9	L101 F104 D105 P685 M690 R691	L101-L687 HydrophobicContact CD2-CD2 4.12Å; F104-L687 HydrophobicContact CB-CD1 3.84Å; F104-L687 HydrophobicContact CB-CD2 3.3Å; F104-L687 HydrophobicContact CB-CG 3.94Å; F104-L687 HydrophobicContact CD1-CD2 4.16Å; F104-L687 HydrophobicContact CD2-CD2 3.75Å; F104-L687 HydrophobicContact CE2-CD2 4.47Å; F104-L687 HydrophobicContact CG-CD2 3.54Å; F104-L687 HydrophobicContact CG-CG 4.43Å; D105-L687 WeakPolarHBondContact OD1-CD1 3.36Å; P685-L687 PolarHBondContact O-N 3.42Å; L687-M690 HydrophobicContact CD2-CE 3.76Å; L687-M690 HydrophobicContact CG-CE 4.37Å; L687-R691 WeakPolarHBondContact O-CG 3.21Å; L687-R691 PolarHBondContact O-N 3.32Å; L687-R691 PolarHBondContact O-NE 2.94Å
688	Q	95.8	Very high	95.5	Very high	73 Å²	73	55.8 Å²	55.8	34%	0.341	28%	0.277	S	S	.	.	H	α-helix	trans	-82.5	-43.2	176.6	-166.2	172.3	-42.8	0	0	109.9	E684 P685 P686 M690 R691 R692	E684-Q688 HydrophobicContact CB-CB 4.22Å; E684-Q688 HydrophobicContact CB-CG 4.45Å; E684-Q688 PolarHBondContact OE1-NE2 3.17Å; E684-Q688 WeakPolarHBondContact OE2-CG 3.42Å; P685-Q688 WeakPolarHBondContact O-CA 3.19Å; P685-Q688 WeakPolarHBondContact O-CB 3.46Å; P685-Q688 PolarHBondContact O-N 3.31Å; P686-Q688 VanDerWaalsContact C-N 3.31Å; P686-Q688 PolarHBondContact O-N 3.28Å; Q688-M690 PolarHBondContact O-N 3.02Å; Q688-R691 PolarHBondContact O-N 3.25Å; Q688-R692 PolarHBondContact O-N 3.04Å
689	A	95.9	Very high	95.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.1	-48.8	171.9	0	0	0	0	0	112.2	Y646 P685 P686 R691 R692 I693	Y646-A689 HydrophobicContact CD1-CB 3.5Å; Y646-A689 HydrophobicContact CE1-CB 3.46Å; Y646-A689 VanDerWaalsContact CE1-CB 3.46Å; P685-A689 PolarHBondContact O-N 3.23Å; P685-A689 VanDerWaalsContact O-N 3.08Å; P686-A689 PolarHBondContact O-N 3.09Å; A689-R691 VanDerWaalsContact C-N 3.34Å; A689-R691 PolarHBondContact O-N 3.37Å; A689-R692 PolarHBondContact O-N 3.07Å; A689-R692 VanDerWaalsContact O-N 3.12Å; A689-I693 WeakPolarHBondContact O-CG1 3.16Å; A689-I693 PolarHBondContact O-N 2.91Å
690	M	96.6	Very high	95.3	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.3	-40.1	175.9	-75.9	-175.8	-65.8	0	0	112.8	F104 P645 M648 I653 P686 L687 Q688 I693 R694	F104-M690 HydrophobicContact CD1-CE 4.31Å; F104-M690 HydrophobicContact CD2-CE 4.49Å; F104-M690 HydrophobicContact CE1-CE 3.83Å; F104-M690 HydrophobicContact CE2-CE 3.99Å; F104-M690 HydrophobicContact CE2-SD 4.4Å; F104-M690 HydrophobicContact CZ-CE 3.63Å; F104-M690 HydrophobicContact CZ-SD 3.93Å; P645-M690 HydrophobicContact CB-CE 4.36Å; P645-M690 HydrophobicContact CB-CG 3.87Å; P645-M690 HydrophobicContact CB-SD 3.97Å; P645-M690 HydrophobicContact CG-SD 4.33Å; M648-M690 HydrophobicContact CE-SD 4.45Å; M648-M690 HydrophobicContact SD-CG 4.45Å; M648-M690 HydrophobicContact SD-SD 3.8Å; I653-M690 HydrophobicContact CD1-CB 4.1Å; I653-M690 HydrophobicContact CD1-CG 4.06Å; I653-M690 HydrophobicContact CG1-CB 4.34Å; I653-M690 HydrophobicContact CG1-CG 4.17Å; I653-M690 HydrophobicContact CG2-CB 4.01Å; P686-M690 WeakPolarHBondContact O-CB 3.31Å; P686-M690 WeakPolarHBondContact O-CE 3.32Å; P686-M690 WeakPolarHBondContact O-CG 3.47Å; P686-M690 PolarHBondContact O-N 3.14Å; L687-M690 HydrophobicContact CD2-CE 3.76Å; L687-M690 HydrophobicContact CG-CE 4.37Å; Q688-M690 PolarHBondContact O-N 3.02Å; M690-I693 PolarHBondContact O-N 3.03Å; M690-R694 VanDerWaalsContact O-CB 3.32Å; M690-R694 WeakPolarHBondContact O-CB 3.1Å; M690-R694 PolarHBondContact O-N 3.45Å
691	R	95.7	Very high	95.2	Very high	112 Å²	112	62.4 Å²	62.4	42%	0.423	30%	0.3	S	S	.	.	H	α-helix	trans	-61.4	-45.2	173	-80.4	-178.5	-73.3	-177.8	1	111.4	L101 L687 Q688 A689 R694 D695	L101-R691 HydrophobicContact CD1-CG 3.48Å; L101-R691 VanDerWaalsContact CD1-CG 3.48Å; L687-R691 WeakPolarHBondContact O-CG 3.21Å; L687-R691 PolarHBondContact O-N 3.32Å; L687-R691 PolarHBondContact O-NE 2.94Å; Q688-R691 PolarHBondContact O-N 3.25Å; A689-R691 VanDerWaalsContact C-N 3.34Å; A689-R691 PolarHBondContact O-N 3.37Å; R691-R694 PolarHBondContact O-N 3.35Å; R691-D695 VanDerWaalsContact O-CB 3.29Å; R691-D695 WeakPolarHBondContact O-CB 3.29Å; R691-D695 VanDerWaalsContact O-CG 3.28Å; R691-D695 PolarHBondContact O-N 3.33Å
692	R	96.7	Very high	94.8	Very high	100 Å²	100	65.3 Å²	65.3	38%	0.377	31%	0.314	S	S	.	.	H	α-helix	trans	-62	-43.9	176.8	-73.3	-161.4	-169.7	-101.1	11.5	113.1	Y681 E684 Q688 A689 R694 D695 N696	Y681-R692 HydrophobicContact CD1-CB 4.43Å; Y681-R692 VanDerWaalsContact CD1-CD 3.43Å; Y681-R692 HydrophobicContact CD2-CB 3.86Å; Y681-R692 HydrophobicContact CE1-CB 4.2Å; Y681-R692 VanDerWaalsContact CE1-CD 3.4Å; Y681-R692 HydrophobicContact CE1-CG 4.47Å; Y681-R692 HydrophobicContact CE2-CB 3.57Å; Y681-R692 HydrophobicContact CG-CB 4.27Å; E684-R692 IonicContact OE1-CZ 2.68Å; E684-R692 IonicContact OE1-NE 3.78Å; E684-R692 PolarHBondContact OE1-NE 2.73Å; E684-R692 IonicContact OE1-NH2 2.91Å; E684-R692 PolarHBondContact OE1-NH2 3.25Å; E684-R692 WeakPolarHBondContact OE2-CD 3.26Å; E684-R692 IonicContact OE2-CZ 3.13Å; E684-R692 IonicContact OE2-NE 2.73Å; E684-R692 PolarHBondContact OE2-NE 3.21Å; Q688-R692 PolarHBondContact O-N 3.04Å; A689-R692 PolarHBondContact O-N 3.07Å; A689-R692 VanDerWaalsContact O-N 3.12Å; R692-R694 VanDerWaalsContact C-N 3.32Å; R692-R694 PolarHBondContact O-N 2.81Å; R692-D695 PolarHBondContact O-N 3.11Å; R692-N696 WeakPolarHBondContact CA-ND2 3.25Å; R692-N696 VanDerWaalsContact CB-ND2 3.29Å; R692-N696 WeakPolarHBondContact CB-ND2 3.28Å; R692-N696 WeakPolarHBondContact CG-ND2 3.31Å; R692-N696 WeakPolarHBondContact O-CB 3.44Å; R692-N696 PolarHBondContact O-N 3.38Å; R692-N696 PolarHBondContact O-ND2 3.2Å
693	I	97.4	Very high	94.2	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-61.6	-43.2	176.2	-66.9	162.8	0	0	0	110.3	P650 I653 W665 Y681 A689 M690 R721	P650-I693 HydrophobicContact CB-CG2 4.42Å; I653-I693 HydrophobicContact CD1-CB 3.85Å; I653-I693 HydrophobicContact CD1-CD1 4.48Å; I653-I693 HydrophobicContact CD1-CG2 3.61Å; W665-I693 HydrophobicContact CZ2-CG2 3.93Å; Y681-I693 HydrophobicContact CD2-CG1 4.1Å; Y681-I693 HydrophobicContact CE2-CG1 4.03Å; A689-I693 WeakPolarHBondContact O-CG1 3.16Å; A689-I693 PolarHBondContact O-N 2.91Å; M690-I693 PolarHBondContact O-N 3.03Å; I693-R721 PolarHBondContact O-NH1 3.12Å
694	R	96.3	Very high	93.9	Very high	23 Å²	23	60.8 Å²	60.8	9%	0.087	30%	0.295	C	S	.	.	H	α-helix	trans	-65.6	-44.9	177.8	-167.3	-168.5	65.2	-166.6	-6.3	112.7	I653 S654 M690 R691 R692 R721	I653-R694 HydrophobicContact CG2-CB 4.01Å; I653-R694 HydrophobicContact CG2-CG 4.35Å; S654-R694 WeakPolarHBondContact OG-CG 3.12Å; M690-R694 VanDerWaalsContact O-CB 3.32Å; M690-R694 WeakPolarHBondContact O-CB 3.1Å; M690-R694 PolarHBondContact O-N 3.45Å; R691-R694 PolarHBondContact O-N 3.35Å; R692-R694 VanDerWaalsContact C-N 3.32Å; R692-R694 PolarHBondContact O-N 2.81Å; R694-R721 VanDerWaalsContact O-CZ 3.28Å; R694-R721 PolarHBondContact O-NH1 3.4Å; R694-R721 PolarHBondContact O-NH2 3.45Å
695	D	94.9	Very high	93.6	Very high	95 Å²	95	66.3 Å²	66.3	51%	0.508	32%	0.321	S	S	.	.	H	α-helix	trans	-100.2	-22.8	-163.6	-60.8	-26.9	0	0	0	114.5	R691 R692	R691-D695 VanDerWaalsContact O-CB 3.29Å; R691-D695 WeakPolarHBondContact O-CB 3.29Å; R691-D695 VanDerWaalsContact O-CG 3.28Å; R691-D695 PolarHBondContact O-N 3.33Å; R692-D695 PolarHBondContact O-N 3.11Å
696	N	96.2	Very high	93.3	Very high	63 Å²	63	67.1 Å²	67.1	34%	0.337	32%	0.316	S	S	.	.	S	Bend	trans	-93.7	172.6	-177.6	-58.8	-37.6	0	0	0	113.3	R692 R721	R692-N696 WeakPolarHBondContact CA-ND2 3.25Å; R692-N696 VanDerWaalsContact CB-ND2 3.29Å; R692-N696 WeakPolarHBondContact CB-ND2 3.28Å; R692-N696 WeakPolarHBondContact CG-ND2 3.31Å; R692-N696 WeakPolarHBondContact O-CB 3.44Å; R692-N696 PolarHBondContact O-N 3.38Å; R692-N696 PolarHBondContact O-ND2 3.2Å; N696-R721 PolarHBondContact O-NH1 3.5Å
697	L	96.4	Very high	93.4	Very high	140 Å²	140	65.6 Å²	65.6	73%	0.733	31%	0.306	S	S	*	.	S	Bend	trans	-58.3	158.1	161.1	-62.3	179.2	0	0	0	111.1
698	P	96.7	Very high	93.6	Very high	42 Å²	42	65.9 Å²	65.9	27%	0.273	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-48.8	143.7	174.6	-30.2	36.8	0	0	0	113.6	W665 L719 R721	W665-P698 HydrophobicContact CH2-CB 4.41Å; P698-L719 HydrophobicContact CB-CB 4.22Å; P698-L719 VanDerWaalsContact CB-O 3.28Å; P698-L719 WeakPolarHBondContact CB-O 3.23Å; P698-L719 WeakPolarHBondContact CG-O 3.41Å; P698-R721 HydrophobicContact CG-CG 3.82Å
699	P	95.4	Very high	93.7	Very high	13 Å²	13	66.5 Å²	66.5	8%	0.084	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-64.8	151.3	174.1	27.8	-31.5	0	0	0	110.5	I669 I672 P680 L719	I669-P699 HydrophobicContact CD1-CG 3.7Å; I672-P699 HydrophobicContact CD1-CB 4.03Å; I672-P699 HydrophobicContact CD1-CG 4.05Å; P680-P699 HydrophobicContact CB-CB 3.67Å; P680-P699 HydrophobicContact CB-CG 4.22Å; P680-P699 HydrophobicContact CG-CB 3.43Å; P680-P699 VanDerWaalsContact CG-CB 3.43Å; P680-P699 HydrophobicContact CG-CG 3.73Å; P699-L719 HydrophobicContact CG-CD1 4.18Å
700	R	93.1	Very high	93.8	Very high	194 Å²	194	69 Å²	69	73%	0.732	34%	0.338	S	S	*	.			trans	-126.3	150.9	178.3	-64.7	-179.9	178.9	-91.4	2	109.2	K702	R700-K702 PolarHBondContact O-N 3.29Å
701	L	93.1	Very high	93.9	Very high	10 Å²	10	69 Å²	69	5%	0.052	34%	0.338	C	S	.	.			trans	-54.1	128.2	173.5	-68.3	169.5	0	0	0	111.5	I672 V675 D676 E703 S704 V707 L715	I672-L701 HydrophobicContact CB-CD2 4.19Å; I672-L701 HydrophobicContact CG1-CD2 3.93Å; I672-L701 HydrophobicContact CG2-CD2 4.26Å; V675-L701 HydrophobicContact CB-CD2 3.71Å; V675-L701 HydrophobicContact CG1-CD1 4.41Å; V675-L701 HydrophobicContact CG1-CD2 3.76Å; V675-L701 HydrophobicContact CG2-CD2 4.26Å; D676-L701 WeakPolarHBondContact OD2-CA 3.42Å; L701-E703 VanDerWaalsContact C-N 3.34Å; L701-S704 WeakPolarHBondContact O-CB 3.3Å; L701-S704 PolarHBondContact O-N 3.44Å; L701-S704 PolarHBondContact O-OG 3.35Å; L701-V707 HydrophobicContact CD1-CG1 4.2Å; L701-V707 HydrophobicContact CD1-CG2 3.74Å; L701-L715 HydrophobicContact CD1-CD2 3.91Å; L701-L715 HydrophobicContact CD2-CD2 4.24Å; L701-L715 HydrophobicContact CG-CD2 3.73Å
702	K	89.1	Confident	94	Very high	116 Å²	116	67.7 Å²	67.7	50%	0.504	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-49	170.7	-56	165.8	-171	161.9	0	109	D676 E678 R700 S704	D676-K702 HydrophobicContact CB-CD 4.12Å; D676-K702 PolarHBondContact OD1-N 2.77Å; D676-K702 WeakPolarHBondContact OD2-CG 3.45Å; D676-K702 PolarHBondContact OD2-N 2.84Å; E678-K702 VanDerWaalsContact CD-NZ 3.34Å; E678-K702 IonicContact OE1-NZ 2.69Å; E678-K702 PolarHBondContact OE1-NZ 2.97Å; R700-K702 PolarHBondContact O-N 3.29Å; K702-S704 PolarHBondContact O-N 3.08Å
703	E	80.7	Confident	94.1	Very high	62 Å²	62	65.6 Å²	65.6	29%	0.29	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	34.7	-179.6	-53.9	-143.6	125.5	0	0	112.8	D676 L701 H705 K706	D676-E703 PolarHBondContact OD1-N 3.48Å; L701-E703 VanDerWaalsContact C-N 3.34Å; E703-H705 PolarHBondContact O-N 3.32Å; E703-K706 HydrophobicContact CB-CD 4.27Å; E703-K706 HydrophobicContact CB-CG 4.28Å; E703-K706 VanDerWaalsContact CD-CE 3.47Å; E703-K706 PolarHBondContact O-N 2.97Å; E703-K706 VanDerWaalsContact OE1-CE 3.31Å; E703-K706 WeakPolarHBondContact OE1-CE 3.44Å; E703-K706 IonicContact OE1-NZ 3.06Å; E703-K706 PolarHBondContact OE1-NZ 2.98Å; E703-K706 VanDerWaalsContact OE2-CD 3.32Å; E703-K706 WeakPolarHBondContact OE2-CD 3.36Å; E703-K706 VanDerWaalsContact OE2-CE 3.25Å; E703-K706 WeakPolarHBondContact OE2-CE 3.36Å; E703-K706 IonicContact OE2-NZ 3.99Å; E703-K706 PolarHBondContact OE2-NZ 3.33Å
704	S	88	Confident	94.1	Very high	55 Å²	55	65.4 Å²	65.4	39%	0.385	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-51.6	-19.3	-177.3	54.1	0	0	0	0	115.8	L701 K702 V707 R712	L701-S704 WeakPolarHBondContact O-CB 3.3Å; L701-S704 PolarHBondContact O-N 3.44Å; L701-S704 PolarHBondContact O-OG 3.35Å; K702-S704 PolarHBondContact O-N 3.08Å; S704-V707 WeakPolarHBondContact O-CG2 3.34Å; S704-R712 PolarHBondContact O-NE 3.14Å; S704-R712 PolarHBondContact O-NH2 2.81Å
705	H	87.8	Confident	94.2	Very high	141 Å²	141	64.7 Å²	64.7	65%	0.653	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-80.3	-17.3	174.5	62.8	-87.1	0	0	0	114.1	E703	E703-H705 PolarHBondContact O-N 3.32Å
706	K	88	Confident	94.4	Very high	95 Å²	95	64.7 Å²	64.7	41%	0.413	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-97.4	15.6	-177.9	-51.1	-168.9	-164.6	165.3	0	114.6	R577 E703	R577-K706 PolarHBondContact NH2-O 3.13Å; E703-K706 HydrophobicContact CB-CD 4.27Å; E703-K706 HydrophobicContact CB-CG 4.28Å; E703-K706 VanDerWaalsContact CD-CE 3.47Å; E703-K706 PolarHBondContact O-N 2.97Å; E703-K706 VanDerWaalsContact OE1-CE 3.31Å; E703-K706 WeakPolarHBondContact OE1-CE 3.44Å; E703-K706 IonicContact OE1-NZ 3.06Å; E703-K706 PolarHBondContact OE1-NZ 2.98Å; E703-K706 VanDerWaalsContact OE2-CD 3.32Å; E703-K706 WeakPolarHBondContact OE2-CD 3.36Å; E703-K706 VanDerWaalsContact OE2-CE 3.25Å; E703-K706 WeakPolarHBondContact OE2-CE 3.36Å; E703-K706 IonicContact OE2-NZ 3.99Å; E703-K706 PolarHBondContact OE2-NZ 3.33Å
707	V	95	Very high	94.5	Very high	11 Å²	11	65 Å²	65	7%	0.067	33%	0.331	C	S	.	.	S	Bend	trans	-125.5	157.5	177	-65.8	0	0	0	0	111.1	E580 V675 L701 S704 L711 R712	E580-V707 VanDerWaalsContact OE1-CA 3.24Å; E580-V707 WeakPolarHBondContact OE1-CA 3.46Å; V675-V707 HydrophobicContact CG1-CG1 3.75Å; V675-V707 HydrophobicContact CG2-CG1 4.23Å; L701-V707 HydrophobicContact CD1-CG1 4.2Å; L701-V707 HydrophobicContact CD1-CG2 3.74Å; S704-V707 WeakPolarHBondContact O-CG2 3.34Å; V707-L711 HydrophobicContact CB-CB 4.47Å; V707-L711 HydrophobicContact CB-CD2 4.03Å; V707-L711 HydrophobicContact CB-CG 4.4Å; V707-L711 HydrophobicContact CG1-CD2 3.77Å; V707-R712 HydrophobicContact CG2-CG 3.83Å; V707-R712 VanDerWaalsContact O-CZ 3.25Å; V707-R712 PolarHBondContact O-NH2 3.43Å
708	S	97.7	Very high	94.6	Very high	34 Å²	34	58.3 Å²	58.3	24%	0.238	30%	0.296	C	S	.	.			trans	-67.8	159.1	175	73	0	0	0	0	112.3	E580 V710 L711 R712	E580-S708 PolarHBondContact OE1-N 3.31Å; E580-S708 WeakPolarHBondContact OE2-CB 3.38Å; E580-S708 PolarHBondContact OE2-OG 3.42Å; S708-V710 PolarHBondContact O-N 3.41Å; S708-V710 PolarHBondContact OG-N 2.68Å; S708-L711 PolarHBondContact O-N 2.79Å; S708-L711 PolarHBondContact OG-N 3.33Å; S708-R712 WeakPolarHBondContact O-CG 3.48Å; S708-R712 PolarHBondContact O-N 3.39Å
709	S	97.4	Very high	94.7	Very high	85 Å²	85	56.7 Å²	56.7	59%	0.594	29%	0.285	S	S	*	.	H	α-helix	trans	-61.3	-28.4	167.4	43.9	0	0	0	0	112.3	R712 S713	S709-R712 PolarHBondContact O-N 3.08Å; S709-S713 WeakPolarHBondContact O-CB 3.42Å; S709-S713 PolarHBondContact O-N 3.22Å
710	V	98.3	Very high	94.8	Very high	53 Å²	53	57.8 Å²	57.8	32%	0.321	29%	0.291	S	S	.	.	H	α-helix	trans	-71.7	-43.2	-179.5	-164.8	0	0	0	0	110.9	S708 S713 F714 H735 P736 F737	S708-V710 PolarHBondContact O-N 3.41Å; S708-V710 PolarHBondContact OG-N 2.68Å; V710-S713 PolarHBondContact O-N 2.72Å; V710-F714 WeakPolarHBondContact O-CB 3.27Å; V710-F714 PolarHBondContact O-N 2.59Å; V710-H735 PolarHBondContact O-CE1 2.85Å; V710-P736 HydrophobicContact CG1-CB 4.13Å; V710-F737 HydrophobicContact CG1-CB 3.95Å
711	L	98.4	Very high	95	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66	-37.8	172.7	177.9	50	0	0	0	112.1	E580 V671 V675 V707 S708 F714 L715 F737	E580-L711 HydrophobicContact CG-CD2 3.8Å; V671-L711 HydrophobicContact CG1-CD1 3.85Å; V675-L711 HydrophobicContact CG2-CD2 4.25Å; V707-L711 HydrophobicContact CB-CB 4.47Å; V707-L711 HydrophobicContact CB-CD2 4.03Å; V707-L711 HydrophobicContact CB-CG 4.4Å; V707-L711 HydrophobicContact CG1-CD2 3.77Å; S708-L711 PolarHBondContact O-N 2.79Å; S708-L711 PolarHBondContact OG-N 3.33Å; L711-F714 HydrophobicContact CD1-CD1 4.25Å; L711-F714 WeakPolarHBondContact O-CB 3.28Å; L711-F714 PolarHBondContact O-N 3.16Å; L711-L715 WeakPolarHBondContact O-CB 3.3Å; L711-L715 PolarHBondContact O-N 2.93Å; L711-F737 HydrophobicContact CB-CD2 3.87Å; L711-F737 HydrophobicContact CB-CE2 3.72Å; L711-F737 HydrophobicContact CB-CZ 4.45Å; L711-F737 HydrophobicContact CD1-CD1 4.37Å; L711-F737 HydrophobicContact CD1-CD2 4.26Å; L711-F737 HydrophobicContact CD1-CE1 3.95Å; L711-F737 HydrophobicContact CD1-CE2 3.83Å; L711-F737 HydrophobicContact CD1-CZ 3.68Å; L711-F737 HydrophobicContact CD2-CE2 4.17Å; L711-F737 HydrophobicContact CD2-CZ 4.29Å; L711-F737 HydrophobicContact CG-CE2 4.11Å; L711-F737 HydrophobicContact CG-CZ 4.36Å
712	R	97.6	Very high	95.3	Very high	85 Å²	85	57.1 Å²	57.1	32%	0.321	29%	0.292	S	S	.	.	H	α-helix	trans	-59.7	-50.3	172.4	-66	-176.7	-155.5	97.8	3.9	111.4	S704 V707 S708 S709 F714 L715 D716	S704-R712 PolarHBondContact O-NE 3.14Å; S704-R712 PolarHBondContact O-NH2 2.81Å; V707-R712 HydrophobicContact CG2-CG 3.83Å; V707-R712 VanDerWaalsContact O-CZ 3.25Å; V707-R712 PolarHBondContact O-NH2 3.43Å; S708-R712 WeakPolarHBondContact O-CG 3.48Å; S708-R712 PolarHBondContact O-N 3.39Å; S709-R712 PolarHBondContact O-N 3.08Å; R712-F714 VanDerWaalsContact C-N 3.29Å; R712-F714 PolarHBondContact O-N 3.39Å; R712-L715 PolarHBondContact O-N 2.57Å; R712-L715 VanDerWaalsContact O-N 3.09Å; R712-D716 WeakPolarHBondContact O-CB 3.37Å; R712-D716 PolarHBondContact O-N 2.93Å
713	S	97.9	Very high	95.7	Very high	56 Å²	56	52.6 Å²	52.6	39%	0.392	28%	0.275	S	S	.	.	H	α-helix	trans	-57.4	-40.2	177.6	-172.8	0	0	0	0	112.7	S709 V710 M717	S709-S713 WeakPolarHBondContact O-CB 3.42Å; S709-S713 PolarHBondContact O-N 3.22Å; V710-S713 PolarHBondContact O-N 2.72Å; S713-M717 WeakPolarHBondContact O-CG 3.42Å; S713-M717 PolarHBondContact O-N 3.2Å
714	F	98.7	Very high	96.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-44.9	174.9	-173.8	-123.1	0	0	0	112.1	C587 L591 V710 L711 R712 M717 M718 L732 H735 F737 L738	C587-F714 HydrophobicContact CB-CE1 3.93Å; C587-F714 HydrophobicContact CB-CZ 4.09Å; L591-F714 HydrophobicContact CD1-CE2 4.19Å; L591-F714 HydrophobicContact CD1-CZ 3.76Å; V710-F714 WeakPolarHBondContact O-CB 3.27Å; V710-F714 PolarHBondContact O-N 2.59Å; L711-F714 HydrophobicContact CD1-CD1 4.25Å; L711-F714 WeakPolarHBondContact O-CB 3.28Å; L711-F714 PolarHBondContact O-N 3.16Å; R712-F714 VanDerWaalsContact C-N 3.29Å; R712-F714 PolarHBondContact O-N 3.39Å; F714-M717 PolarHBondContact O-N 3.23Å; F714-M718 HydrophobicContact CD1-CE 3.51Å; F714-M718 HydrophobicContact CE1-CE 3.51Å; F714-M718 HydrophobicContact CE1-SD 4.37Å; F714-M718 HydrophobicContact CG-CE 4.08Å; F714-M718 HydrophobicContact CZ-CE 4.09Å; F714-M718 HydrophobicContact CZ-SD 4.46Å; F714-M718 WeakPolarHBondContact O-CE 3.5Å; F714-L732 HydrophobicContact CD2-CD2 3.91Å; F714-L732 HydrophobicContact CE2-CB 4.08Å; F714-L732 HydrophobicContact CE2-CD2 3.77Å; F714-L732 HydrophobicContact CE2-CG 4.49Å; F714-H735 HydrophobicContact CD2-CB 3.77Å; F714-H735 AromaticContact CD2-CG 3.63Å; F714-H735 AromaticContact CD2-ND1 3.37Å; F714-H735 WeakPolarHBondContact CD2-ND1 3.41Å; F714-H735 HydrophobicContact CE2-CB 4.09Å; F714-H735 AromaticContact CG-ND1 3.81Å; F714-H735 PolarHBondContact N-CE1 2.78Å; F714-F737 HydrophobicContact CB-CB 3.91Å; F714-F737 HydrophobicContact CB-CD1 4.32Å; F714-F737 HydrophobicContact CB-CG 4.18Å; F714-F737 HydrophobicContact CD1-CB 4.41Å; F714-F737 AromaticContact CD1-CD1 3.35Å; F714-F737 HydrophobicContact CD1-CD1 3.35Å; F714-F737 AromaticContact CD1-CE1 3.91Å; F714-F737 HydrophobicContact CD1-CE1 3.91Å; F714-F737 HydrophobicContact CD1-CG 4.07Å; F714-F737 HydrophobicContact CD2-CB 4.27Å; F714-F737 HydrophobicContact CD2-CD1 4.4Å; F714-F737 AromaticContact CE1-CD1 3.6Å; F714-F737 HydrophobicContact CE1-CD1 3.6Å; F714-F737 AromaticContact CE1-CE1 3.99Å; F714-F737 HydrophobicContact CE1-CE1 3.99Å; F714-F737 HydrophobicContact CG-CB 3.97Å; F714-F737 AromaticContact CG-CD1 3.79Å; F714-F737 HydrophobicContact CG-CD1 3.79Å; F714-F737 HydrophobicContact CG-CG 4.11Å; F714-F737 HydrophobicContact CZ-CD1 4.19Å; F714-L738 HydrophobicContact CE1-CD2 4.31Å; F714-L738 HydrophobicContact CE2-CD1 4.24Å; F714-L738 HydrophobicContact CE2-CD2 4.31Å; F714-L738 HydrophobicContact CE2-CG 4.15Å; F714-L738 HydrophobicContact CZ-CD1 4.27Å; F714-L738 HydrophobicContact CZ-CD2 3.81Å; F714-L738 HydrophobicContact CZ-CG 4.15Å
715	L	98.4	Very high	97	Very high	8 Å²	8	58 Å²	58	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-68.6	-39.7	179.3	-176.2	61.3	0	0	0	112.6	G668 V671 I672 L701 L711 R712 M717 M718 L719	G668-L715 VanDerWaalsContact O-CD1 3.23Å; G668-L715 WeakPolarHBondContact O-CD1 3.23Å; V671-L715 HydrophobicContact CB-CD1 4.14Å; V671-L715 HydrophobicContact CG1-CD1 4.05Å; I672-L715 HydrophobicContact CG1-CD1 4.34Å; I672-L715 HydrophobicContact CG1-CD2 3.96Å; L701-L715 HydrophobicContact CD1-CD2 3.91Å; L701-L715 HydrophobicContact CD2-CD2 4.24Å; L701-L715 HydrophobicContact CG-CD2 3.73Å; L711-L715 WeakPolarHBondContact O-CB 3.3Å; L711-L715 PolarHBondContact O-N 2.93Å; R712-L715 PolarHBondContact O-N 2.57Å; R712-L715 VanDerWaalsContact O-N 3.09Å; L715-M717 PolarHBondContact O-N 3.15Å; L715-M718 HydrophobicContact CD1-CE 4.3Å; L715-M718 PolarHBondContact O-N 3.1Å; L715-L719 HydrophobicContact CD1-CD1 3.6Å; L715-L719 HydrophobicContact CD1-CG 3.9Å; L715-L719 HydrophobicContact CD2-CD1 4.36Å; L715-L719 HydrophobicContact CG-CD1 3.88Å; L715-L719 HydrophobicContact CG-CG 4.39Å; L715-L719 PolarHBondContact O-N 3.33Å
716	D	98.2	Very high	97.5	Very high	96 Å²	96	51.9 Å²	51.9	51%	0.513	27%	0.274	S	S	.	.	H	α-helix	trans	-63	-29.1	177.8	-72.2	-38	0	0	0	111.9	R712 V720	R712-D716 WeakPolarHBondContact O-CB 3.37Å; R712-D716 PolarHBondContact O-N 2.93Å; D716-V720 WeakPolarHBondContact O-CG2 3.33Å
717	M	98.6	Very high	98	Very high	68 Å²	68	47.9 Å²	47.9	34%	0.335	26%	0.259	S	S	.	.	H	α-helix	trans	-73.9	-22	172.3	-70.9	179	67.4	0	0	114.1	S713 F714 L715 A727 L732 H735	S713-M717 WeakPolarHBondContact O-CG 3.42Å; S713-M717 PolarHBondContact O-N 3.2Å; F714-M717 PolarHBondContact O-N 3.23Å; L715-M717 PolarHBondContact O-N 3.15Å; M717-A727 HydrophobicContact CB-CB 4.12Å; M717-A727 HydrophobicContact CE-CB 3.73Å; M717-A727 PolarHBondContact O-N 3.43Å; M717-L732 HydrophobicContact CB-CD2 4.01Å; M717-L732 HydrophobicContact CE-CD2 4.46Å; M717-H735 VanDerWaalsContact SD-CD2 3.57Å
718	M	98.8	Very high	98.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-92.5	-39.4	179.8	-69.1	-173.3	-77	0	0	112.7	I664 L667 V671 F714 L715 V720 R726 L732	I664-M718 HydrophobicContact CG2-CB 4.07Å; I664-M718 HydrophobicContact CG2-CG 3.73Å; L667-M718 HydrophobicContact CB-SD 4.33Å; L667-M718 HydrophobicContact CD2-SD 3.84Å; L667-M718 HydrophobicContact CG-SD 3.81Å; V671-M718 HydrophobicContact CB-CE 4.48Å; V671-M718 HydrophobicContact CG2-CE 4.07Å; F714-M718 HydrophobicContact CD1-CE 3.51Å; F714-M718 HydrophobicContact CE1-CE 3.51Å; F714-M718 HydrophobicContact CE1-SD 4.37Å; F714-M718 HydrophobicContact CG-CE 4.08Å; F714-M718 HydrophobicContact CZ-CE 4.09Å; F714-M718 HydrophobicContact CZ-SD 4.46Å; F714-M718 WeakPolarHBondContact O-CE 3.5Å; L715-M718 HydrophobicContact CD1-CE 4.3Å; L715-M718 PolarHBondContact O-N 3.1Å; M718-V720 PolarHBondContact O-N 3.22Å; M718-V720 VanDerWaalsContact O-N 3.15Å; M718-R726 VanDerWaalsContact O-CD 3.23Å; M718-R726 WeakPolarHBondContact O-CD 3.22Å; M718-R726 WeakPolarHBondContact O-CG 3.35Å; M718-L732 HydrophobicContact CG-CD1 3.63Å; M718-L732 HydrophobicContact CG-CD2 3.94Å; M718-L732 HydrophobicContact CG-CG 4.47Å; M718-L732 HydrophobicContact SD-CD1 4.13Å
719	L	98.6	Very high	98.2	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.042	27%	0.266	C	S	.	.	S	Bend	trans	-88.5	35	-176.2	-64.1	-179	0	0	0	113.5	W665 I669 I672 P698 P699 L715	W665-L719 HydrophobicContact CD2-CD2 4.01Å; W665-L719 HydrophobicContact CE3-CD2 4.18Å; W665-L719 HydrophobicContact CG-CD2 4.43Å; W665-L719 HydrophobicContact CZ2-CD2 4.4Å; W665-L719 HydrophobicContact CZ3-CB 4.39Å; W665-L719 HydrophobicContact CZ3-CD2 4.46Å; W665-L719 WeakPolarHBondContact CZ3-O 3.36Å; I669-L719 HydrophobicContact CD1-CD2 3.85Å; I669-L719 HydrophobicContact CG1-CD2 4.2Å; I672-L719 HydrophobicContact CD1-CD1 3.65Å; I672-L719 HydrophobicContact CG1-CD1 4.33Å; P698-L719 HydrophobicContact CB-CB 4.22Å; P698-L719 VanDerWaalsContact CB-O 3.28Å; P698-L719 WeakPolarHBondContact CB-O 3.23Å; P698-L719 WeakPolarHBondContact CG-O 3.41Å; P699-L719 HydrophobicContact CG-CD1 4.18Å; L715-L719 HydrophobicContact CD1-CD1 3.6Å; L715-L719 HydrophobicContact CD1-CG 3.9Å; L715-L719 HydrophobicContact CD2-CD1 4.36Å; L715-L719 HydrophobicContact CG-CD1 3.88Å; L715-L719 HydrophobicContact CG-CG 4.39Å; L715-L719 PolarHBondContact O-N 3.33Å
720	V	98.6	Very high	98.3	Very high	36 Å²	36	51.4 Å²	51.4	22%	0.218	27%	0.267	C	S	.	.			trans	-78.1	126.9	174.5	-172.9	0	0	0	0	109.9	D716 M718 Q725 R726	D716-V720 WeakPolarHBondContact O-CG2 3.33Å; M718-V720 PolarHBondContact O-N 3.22Å; M718-V720 VanDerWaalsContact O-N 3.15Å; V720-Q725 HydrophobicContact CG1-CB 3.9Å; V720-R726 HydrophobicContact CB-CB 4.02Å; V720-R726 HydrophobicContact CB-CG 4.21Å; V720-R726 PolarHBondContact O-NE 2.72Å; V720-R726 PolarHBondContact O-NH2 2.88Å
721	R	96.9	Very high	98.3	Very high	90 Å²	90	54 Å²	54	34%	0.34	28%	0.276	S	S	.	.	S	Bend	trans	-65.6	-41.3	-179.7	-72.2	-172	56.7	84.1	11.1	113.2	W665 I693 R694 N696 P698 P723	W665-R721 HydrophobicContact CZ3-CG 4.49Å; I693-R721 PolarHBondContact O-NH1 3.12Å; R694-R721 VanDerWaalsContact O-CZ 3.28Å; R694-R721 PolarHBondContact O-NH1 3.4Å; R694-R721 PolarHBondContact O-NH2 3.45Å; N696-R721 PolarHBondContact O-NH1 3.5Å; P698-R721 HydrophobicContact CG-CG 3.82Å; R721-P723 WeakPolarHBondContact O-CD 3.03Å
722	E	97.9	Very high	98.3	Very high	100 Å²	100	54 Å²	54	47%	0.467	28%	0.276	S	S	.	.	S	Bend	trans	-80.8	113.6	-179.9	174.1	44.3	-125.8	0	0	109.4	S724 Q725 R726	E722-S724 WeakPolarHBondContact CG-OG 3.36Å; E722-S724 PolarHBondContact O-N 3.44Å; E722-S724 WeakPolarHBondContact OE1-CB 3.33Å; E722-S724 PolarHBondContact OE1-N 2.93Å; E722-S724 PolarHBondContact OE1-OG 3.38Å; E722-Q725 HydrophobicContact CB-CB 4.33Å; E722-Q725 HydrophobicContact CB-CG 4.35Å; E722-Q725 HydrophobicContact CG-CB 4.23Å; E722-Q725 HydrophobicContact CG-CG 3.84Å; E722-Q725 PolarHBondContact O-N 2.98Å; E722-R726 PolarHBondContact O-N 2.68Å
723	P	97.9	Very high	98.4	Very high	22 Å²	22	52.1 Å²	52.1	14%	0.143	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-62.5	-32.1	-173.3	-24.1	35.8	0	0	0	113	E651 E661 R721 Q725 R726	E651-P723 HydrophobicContact CB-CG 4.14Å; E651-P723 HydrophobicContact CG-CG 3.87Å; E661-P723 HydrophobicContact CB-CB 4.03Å; E661-P723 HydrophobicContact CG-CB 4.1Å; R721-P723 WeakPolarHBondContact O-CD 3.03Å; P723-Q725 PolarHBondContact O-N 3.44Å; P723-R726 PolarHBondContact O-N 2.98Å
724	S	97.6	Very high	98.4	Very high	84 Å²	84	56.4 Å²	56.4	59%	0.587	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-72.5	-3.3	177.2	65.3	0	0	0	0	114.6	E722	E722-S724 WeakPolarHBondContact CG-OG 3.36Å; E722-S724 PolarHBondContact O-N 3.44Å; E722-S724 WeakPolarHBondContact OE1-CB 3.33Å; E722-S724 PolarHBondContact OE1-N 2.93Å; E722-S724 PolarHBondContact OE1-OG 3.38Å
725	Q	98.3	Very high	98.4	Very high	145 Å²	145	57.4 Å²	57.4	68%	0.678	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-119.8	3.1	175.5	-60.9	-65.9	-83.4	0	0	112.2	V720 E722 P723	V720-Q725 HydrophobicContact CG1-CB 3.9Å; E722-Q725 HydrophobicContact CB-CB 4.33Å; E722-Q725 HydrophobicContact CB-CG 4.35Å; E722-Q725 HydrophobicContact CG-CB 4.23Å; E722-Q725 HydrophobicContact CG-CG 3.84Å; E722-Q725 PolarHBondContact O-N 2.98Å; P723-Q725 PolarHBondContact O-N 3.44Å
726	R	98.6	Very high	98.4	Very high	14 Å²	14	60.4 Å²	60.4	5%	0.053	31%	0.31	C	S	.	.	S	Bend	trans	-85	136	175	-164	-178.5	-59.4	144.9	5.3	108.9	E651 E661 I664 M718 V720 E722 P723	E651-R726 IonicContact OE1-CZ 3.64Å; E651-R726 IonicContact OE1-NH1 3.84Å; E651-R726 PolarHBondContact OE1-NH1 3.24Å; E651-R726 IonicContact OE1-NH2 2.72Å; E651-R726 PolarHBondContact OE1-NH2 3.08Å; E651-R726 IonicContact OE2-CZ 3.7Å; E651-R726 IonicContact OE2-NH1 2.77Å; E651-R726 IonicContact OE2-NH2 3.81Å; E651-R726 PolarHBondContact OE2-NH2 3.11Å; E661-R726 VanDerWaalsContact C-NH1 3.29Å; E661-R726 WeakPolarHBondContact O-CD 3.28Å; E661-R726 PolarHBondContact O-NH1 2.98Å; I664-R726 HydrophobicContact CG2-CG 4.22Å; M718-R726 VanDerWaalsContact O-CD 3.23Å; M718-R726 WeakPolarHBondContact O-CD 3.22Å; M718-R726 WeakPolarHBondContact O-CG 3.35Å; V720-R726 HydrophobicContact CB-CB 4.02Å; V720-R726 HydrophobicContact CB-CG 4.21Å; V720-R726 PolarHBondContact O-NE 2.72Å; V720-R726 PolarHBondContact O-NH2 2.88Å; E722-R726 PolarHBondContact O-N 2.68Å; P723-R726 PolarHBondContact O-N 2.98Å
727	A	98.8	Very high	98.4	Very high	10 Å²	10	55.9 Å²	55.9	8%	0.083	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-64.2	147.6	-179.5	0	0	0	0	0	111.8	I664 M717 E731 L732	I664-A727 WeakPolarHBondContact CG2-O 3.28Å; M717-A727 HydrophobicContact CB-CB 4.12Å; M717-A727 HydrophobicContact CE-CB 3.73Å; M717-A727 PolarHBondContact O-N 3.43Å; A727-E731 HydrophobicContact CB-CB 4.48Å; A727-L732 HydrophobicContact CB-CD1 4.19Å; A727-L732 HydrophobicContact CB-CD2 3.95Å; A727-L732 HydrophobicContact CB-CG 3.78Å
728	T	98.9	Very high	98.4	Very high	72 Å²	72	53 Å²	53	44%	0.442	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-79	164.6	172.3	63.1	0	0	0	0	111.6	Q730 E731 L732	T728-Q730 PolarHBondContact O-N 3.06Å; T728-E731 VanDerWaalsContact CB-OE2 3.3Å; T728-E731 WeakPolarHBondContact CB-OE2 3.35Å; T728-E731 WeakPolarHBondContact CG2-OE2 3.42Å; T728-E731 PolarHBondContact N-OE2 3.16Å; T728-E731 PolarHBondContact O-N 3.45Å; T728-E731 WeakPolarHBondContact OG1-CG 3.46Å; T728-E731 PolarHBondContact OG1-N 3.06Å; T728-E731 PolarHBondContact OG1-OE2 3.44Å; T728-L732 WeakPolarHBondContact O-CG 3.06Å; T728-L732 PolarHBondContact O-N 3.31Å
729	A	98.8	Very high	98.4	Very high	2 Å²	2	61.5 Å²	61.5	2%	0.017	31%	0.308	C	S	.	.	H	α-helix	trans	-56	-40.3	173.4	0	0	0	0	0	112.3	L591 L594 I664 L732 I733	L591-A729 HydrophobicContact CD2-CB 4.02Å; L594-A729 HydrophobicContact CB-CB 4.15Å; I664-A729 HydrophobicContact CD1-CB 3.95Å; A729-L732 PolarHBondContact O-N 2.88Å; A729-I733 VanDerWaalsContact O-CG1 3.31Å; A729-I733 WeakPolarHBondContact O-CG1 3.12Å; A729-I733 PolarHBondContact O-N 3.23Å
730	Q	98.4	Very high	98.4	Very high	130 Å²	130	65 Å²	65	61%	0.607	33%	0.326	S	S	*	.	H	α-helix	trans	-67.9	-37.4	-178.2	-173.1	174.4	-4	0	0	113	T728	T728-Q730 PolarHBondContact O-N 3.06Å
731	E	98.6	Very high	98.4	Very high	109 Å²	109	65.2 Å²	65.2	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-70.2	-41.5	174.5	-70.4	161.1	126.9	0	0	111.4	A727 T728 I733 Q734	A727-E731 HydrophobicContact CB-CB 4.48Å; T728-E731 VanDerWaalsContact CB-OE2 3.3Å; T728-E731 WeakPolarHBondContact CB-OE2 3.35Å; T728-E731 WeakPolarHBondContact CG2-OE2 3.42Å; T728-E731 PolarHBondContact N-OE2 3.16Å; T728-E731 PolarHBondContact O-N 3.45Å; T728-E731 WeakPolarHBondContact OG1-CG 3.46Å; T728-E731 PolarHBondContact OG1-N 3.06Å; T728-E731 PolarHBondContact OG1-OE2 3.44Å; E731-I733 VanDerWaalsContact C-N 3.31Å; E731-I733 PolarHBondContact O-N 2.9Å; E731-Q734 PolarHBondContact O-N 3.26Å
732	L	98.8	Very high	98.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-32.5	179	-71.9	166.1	0	0	0	112.7	L591 I664 F714 M717 M718 A727 T728 A729 Q734 H735 L738	L591-L732 HydrophobicContact CD1-CB 3.73Å; L591-L732 HydrophobicContact CD2-CB 3.89Å; L591-L732 HydrophobicContact CD2-CD1 4.07Å; I664-L732 HydrophobicContact CD1-CD1 4.33Å; I664-L732 HydrophobicContact CG2-CD1 3.42Å; I664-L732 VanDerWaalsContact CG2-CD1 3.42Å; F714-L732 HydrophobicContact CD2-CD2 3.91Å; F714-L732 HydrophobicContact CE2-CB 4.08Å; F714-L732 HydrophobicContact CE2-CD2 3.77Å; F714-L732 HydrophobicContact CE2-CG 4.49Å; M717-L732 HydrophobicContact CB-CD2 4.01Å; M717-L732 HydrophobicContact CE-CD2 4.46Å; M718-L732 HydrophobicContact CG-CD1 3.63Å; M718-L732 HydrophobicContact CG-CD2 3.94Å; M718-L732 HydrophobicContact CG-CG 4.47Å; M718-L732 HydrophobicContact SD-CD1 4.13Å; A727-L732 HydrophobicContact CB-CD1 4.19Å; A727-L732 HydrophobicContact CB-CD2 3.95Å; A727-L732 HydrophobicContact CB-CG 3.78Å; T728-L732 WeakPolarHBondContact O-CG 3.06Å; T728-L732 PolarHBondContact O-N 3.31Å; A729-L732 PolarHBondContact O-N 2.88Å; L732-Q734 PolarHBondContact O-N 2.88Å; L732-H735 VanDerWaalsContact O-CB 3.3Å; L732-H735 WeakPolarHBondContact O-CB 3.37Å; L732-H735 PolarHBondContact O-N 2.79Å; L732-L738 WeakPolarHBondContact O-CD1 3.48Å
733	I	98.6	Very high	98.4	Very high	44 Å²	44	60.5 Å²	60.5	23%	0.226	32%	0.322	C	S	.	.	H	α-helix	trans	-56.2	-30.8	171.9	-74	167.5	0	0	0	112	L591 A729 E731	L591-I733 HydrophobicContact CB-CD1 4.37Å; L591-I733 HydrophobicContact CB-CG1 3.82Å; A729-I733 VanDerWaalsContact O-CG1 3.31Å; A729-I733 WeakPolarHBondContact O-CG1 3.12Å; A729-I733 PolarHBondContact O-N 3.23Å; E731-I733 VanDerWaalsContact C-N 3.31Å; E731-I733 PolarHBondContact O-N 2.9Å
734	Q	98.4	Very high	98.3	Very high	147 Å²	147	62 Å²	62	69%	0.687	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.1	179.5	-54.4	-57.4	-32.5	0	0	113.6	E731 L732	E731-Q734 PolarHBondContact O-N 3.26Å; L732-Q734 PolarHBondContact O-N 2.88Å
735	H	98.8	Very high	98.3	Very high	20 Å²	20	61.6 Å²	61.6	9%	0.093	33%	0.329	C	S	.	.	S	Bend	trans	-67.9	135.6	-174.4	-174.1	-95.1	0	0	0	111.7	V710 F714 M717 L732 F737 L738	V710-H735 PolarHBondContact O-CE1 2.85Å; F714-H735 HydrophobicContact CD2-CB 3.77Å; F714-H735 AromaticContact CD2-CG 3.63Å; F714-H735 AromaticContact CD2-ND1 3.37Å; F714-H735 WeakPolarHBondContact CD2-ND1 3.41Å; F714-H735 HydrophobicContact CE2-CB 4.09Å; F714-H735 AromaticContact CG-ND1 3.81Å; F714-H735 PolarHBondContact N-CE1 2.78Å; M717-H735 VanDerWaalsContact SD-CD2 3.57Å; L732-H735 VanDerWaalsContact O-CB 3.3Å; L732-H735 WeakPolarHBondContact O-CB 3.37Å; L732-H735 PolarHBondContact O-N 2.79Å; H735-F737 VanDerWaalsContact ND1-CB 3.35Å; H735-F737 WeakPolarHBondContact ND1-CB 3.2Å; H735-F737 PolarHBondContact ND1-N 3.49Å; H735-F737 PolarHBondContact O-N 3.16Å; H735-L738 PolarHBondContact O-N 3.49Å
736	P	98.6	Very high	98.2	Very high	72 Å²	72	55.3 Å²	55.3	47%	0.468	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-54.1	-24	-174.7	-30.3	36.5	0	0	0	116.3	V710 L738 K739	V710-P736 HydrophobicContact CG1-CB 4.13Å; P736-L738 VanDerWaalsContact C-N 3.28Å; P736-L738 PolarHBondContact O-N 3.41Å; P736-K739 WeakPolarHBondContact O-CB 3.41Å; P736-K739 PolarHBondContact O-N 3.25Å
737	F	98.8	Very high	98.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-55	-41.5	174	178.9	-113.2	0	0	0	112.7	E580 I583 A584 V710 L711 F714 H735 K739 L740	E580-F737 HydrophobicContact CB-CE2 4.08Å; E580-F737 HydrophobicContact CG-CE2 4.39Å; E580-F737 WeakPolarHBondContact O-CZ 3.4Å; I583-F737 HydrophobicContact CB-CZ 4.21Å; I583-F737 HydrophobicContact CG2-CE1 4.08Å; I583-F737 HydrophobicContact CG2-CZ 3.84Å; A584-F737 HydrophobicContact CB-CD1 4.27Å; A584-F737 HydrophobicContact CB-CE1 3.73Å; A584-F737 HydrophobicContact CB-CE2 4.43Å; A584-F737 HydrophobicContact CB-CZ 3.8Å; V710-F737 HydrophobicContact CG1-CB 3.95Å; L711-F737 HydrophobicContact CB-CD2 3.87Å; L711-F737 HydrophobicContact CB-CE2 3.72Å; L711-F737 HydrophobicContact CB-CZ 4.45Å; L711-F737 HydrophobicContact CD1-CD1 4.37Å; L711-F737 HydrophobicContact CD1-CD2 4.26Å; L711-F737 HydrophobicContact CD1-CE1 3.95Å; L711-F737 HydrophobicContact CD1-CE2 3.83Å; L711-F737 HydrophobicContact CD1-CZ 3.68Å; L711-F737 HydrophobicContact CD2-CE2 4.17Å; L711-F737 HydrophobicContact CD2-CZ 4.29Å; L711-F737 HydrophobicContact CG-CE2 4.11Å; L711-F737 HydrophobicContact CG-CZ 4.36Å; F714-F737 HydrophobicContact CB-CB 3.91Å; F714-F737 HydrophobicContact CB-CD1 4.32Å; F714-F737 HydrophobicContact CB-CG 4.18Å; F714-F737 HydrophobicContact CD1-CB 4.41Å; F714-F737 AromaticContact CD1-CD1 3.35Å; F714-F737 HydrophobicContact CD1-CD1 3.35Å; F714-F737 AromaticContact CD1-CE1 3.91Å; F714-F737 HydrophobicContact CD1-CE1 3.91Å; F714-F737 HydrophobicContact CD1-CG 4.07Å; F714-F737 HydrophobicContact CD2-CB 4.27Å; F714-F737 HydrophobicContact CD2-CD1 4.4Å; F714-F737 AromaticContact CE1-CD1 3.6Å; F714-F737 HydrophobicContact CE1-CD1 3.6Å; F714-F737 AromaticContact CE1-CE1 3.99Å; F714-F737 HydrophobicContact CE1-CE1 3.99Å; F714-F737 HydrophobicContact CG-CB 3.97Å; F714-F737 AromaticContact CG-CD1 3.79Å; F714-F737 HydrophobicContact CG-CD1 3.79Å; F714-F737 HydrophobicContact CG-CG 4.11Å; F714-F737 HydrophobicContact CZ-CD1 4.19Å; H735-F737 VanDerWaalsContact ND1-CB 3.35Å; H735-F737 WeakPolarHBondContact ND1-CB 3.2Å; H735-F737 PolarHBondContact ND1-N 3.49Å; H735-F737 PolarHBondContact O-N 3.16Å; F737-K739 PolarHBondContact O-N 3.36Å; F737-L740 HydrophobicContact CD2-CD1 4.01Å; F737-L740 HydrophobicContact CE2-CD1 4.04Å; F737-L740 VanDerWaalsContact O-CB 3.31Å; F737-L740 WeakPolarHBondContact O-CB 3.39Å; F737-L740 WeakPolarHBondContact O-CG 3.36Å; F737-L740 PolarHBondContact O-N 3.27Å
738	L	98.6	Very high	98	Very high	8 Å²	8	55.1 Å²	55.1	4%	0.042	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-73.8	-7.7	-175.3	-58.5	-179.5	0	0	0	113.3	A584 C587 L588 L591 F714 L732 H735 P736 L740 S741	A584-L738 HydrophobicContact CB-CD2 4.39Å; C587-L738 HydrophobicContact CB-CD2 3.69Å; L588-L738 HydrophobicContact CB-CD2 4.33Å; L588-L738 HydrophobicContact CD1-CD1 4.17Å; L591-L738 HydrophobicContact CD1-CD1 3.73Å; F714-L738 HydrophobicContact CE1-CD2 4.31Å; F714-L738 HydrophobicContact CE2-CD1 4.24Å; F714-L738 HydrophobicContact CE2-CD2 4.31Å; F714-L738 HydrophobicContact CE2-CG 4.15Å; F714-L738 HydrophobicContact CZ-CD1 4.27Å; F714-L738 HydrophobicContact CZ-CD2 3.81Å; F714-L738 HydrophobicContact CZ-CG 4.15Å; L732-L738 WeakPolarHBondContact O-CD1 3.48Å; H735-L738 PolarHBondContact O-N 3.49Å; P736-L738 VanDerWaalsContact C-N 3.28Å; P736-L738 PolarHBondContact O-N 3.41Å; L738-L740 PolarHBondContact O-N 3.45Å; L738-S741 WeakPolarHBondContact O-CB 3.26Å; L738-S741 PolarHBondContact O-N 2.91Å; L738-S741 VanDerWaalsContact O-N 3.11Å; L738-S741 PolarHBondContact O-OG 3.14Å; L738-S741 VanDerWaalsContact O-OG 3.05Å
739	K	97.9	Very high	97.8	Very high	178 Å²	178	54.5 Å²	54.5	77%	0.774	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-67.8	-10.4	167.1	-58.3	-175.6	179.3	-175.6	0	112.8	P736 F737	P736-K739 WeakPolarHBondContact O-CB 3.41Å; P736-K739 PolarHBondContact O-N 3.25Å; F737-K739 PolarHBondContact O-N 3.36Å
740	L	98.2	Very high	97.5	Very high	81 Å²	81	54.8 Å²	54.8	42%	0.424	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-85.4	-4.5	171.4	-58.4	176.8	0	0	0	113.3	E580 E581 A584 F737 L738 G742	E580-L740 HydrophobicContact CB-CD1 4.28Å; E581-L740 VanDerWaalsContact CA-O 3.27Å; E581-L740 WeakPolarHBondContact CA-O 3.35Å; E581-L740 WeakPolarHBondContact CB-O 3.27Å; E581-L740 WeakPolarHBondContact CG-O 3.3Å; A584-L740 HydrophobicContact CB-CB 3.97Å; F737-L740 HydrophobicContact CD2-CD1 4.01Å; F737-L740 HydrophobicContact CE2-CD1 4.04Å; F737-L740 VanDerWaalsContact O-CB 3.31Å; F737-L740 WeakPolarHBondContact O-CB 3.39Å; F737-L740 WeakPolarHBondContact O-CG 3.36Å; F737-L740 PolarHBondContact O-N 3.27Å; L738-L740 PolarHBondContact O-N 3.45Å; L740-G742 PolarHBondContact O-N 2.76Å
741	S	98.3	Very high	97.1	Very high	41 Å²	41	49.1 Å²	49.1	29%	0.287	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-64.1	119.2	-177	65.1	0	0	0	0	111.7	L588 L738	L588-S741 WeakPolarHBondContact CD2-OG 3.49Å; L738-S741 WeakPolarHBondContact O-CB 3.26Å; L738-S741 PolarHBondContact O-N 2.91Å; L738-S741 VanDerWaalsContact O-N 3.11Å; L738-S741 PolarHBondContact O-OG 3.14Å; L738-S741 VanDerWaalsContact O-OG 3.05Å
742	G	97.4	Very high	96.1	Very high	15 Å²	15	51.6 Å²	51.6	16%	0.155	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-80.2	173.5	172.4	0	0	0	0	0	112.8	T585 L740	T585-G742 WeakPolarHBondContact CG2-O 3.5Å; T585-G742 PolarHBondContact OG1-N 2.95Å; T585-G742 PolarHBondContact OG1-O 3.43Å; L740-G742 PolarHBondContact O-N 2.76Å
743	P	97.8	Very high	94.4	Very high	77 Å²	77	57.4 Å²	57.4	50%	0.5	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-66.4	161.7	170.8	29.7	-35.6	0	0	0	111.4	S745 C746	P743-S745 WeakPolarHBondContact CG-OG 3.49Å; P743-S745 PolarHBondContact O-N 2.88Å; P743-C746 WeakPolarHBondContact O-CB 3.36Å; P743-C746 PolarHBondContact O-N 3.4Å; P743-C746 PolarHBondContact O-SG 3.34Å
744	P	96.8	Very high	92.5	Very high	52 Å²	52	60.1 Å²	60.1	34%	0.338	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-48.6	-32.7	177.6	-31.5	37.2	0	0	0	115	R619 C746 I747	R619-P744 HydrophobicContact CG-CB 4.03Å; R619-P744 HydrophobicContact CG-CG 3.88Å; P744-C746 PolarHBondContact O-N 2.99Å; P744-C746 VanDerWaalsContact O-N 3.13Å; P744-I747 WeakPolarHBondContact O-CB 3.48Å; P744-I747 PolarHBondContact O-N 2.83Å
745	S	96.9	Very high	90.6	Very high	76 Å²	76	60.4 Å²	60.4	53%	0.531	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-61.1	-17.7	176.2	53.4	0	0	0	0	115	P743 I747 V748 P749	P743-S745 WeakPolarHBondContact CG-OG 3.49Å; P743-S745 PolarHBondContact O-N 2.88Å; S745-I747 VanDerWaalsContact C-N 3.25Å; S745-I747 PolarHBondContact O-N 3.33Å; S745-V748 PolarHBondContact O-N 3.26Å; S745-P749 VanDerWaalsContact O-CD 3.31Å; S745-P749 WeakPolarHBondContact O-CD 3.25Å
746	C	97.2	Very high	88	Confident	13 Å²	13	67.1 Å²	67.1	9%	0.088	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-69.5	-21.8	172.9	77.9	0	0	0	0	113	E581 Q582 P743 P744	E581-C746 HydrophobicContact CG-CB 4.39Å; Q582-C746 HydrophobicContact CG-CB 4.44Å; Q582-C746 PolarHBondContact NE2-O 2.94Å; P743-C746 WeakPolarHBondContact O-CB 3.36Å; P743-C746 PolarHBondContact O-N 3.4Å; P743-C746 PolarHBondContact O-SG 3.34Å; P744-C746 PolarHBondContact O-N 2.99Å; P744-C746 VanDerWaalsContact O-N 3.13Å
747	I	97	Very high	85.1	Confident	1 Å²	1	76.3 Å²	76.3	1%	0.005	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-32.4	177.6	-53.5	-60	0	0	0	111.3	Q582 T585 V586 L614 I620 P744 S745 P749 L750	Q582-I747 HydrophobicContact CB-CD1 3.94Å; Q582-I747 HydrophobicContact CG-CD1 4.16Å; T585-I747 HydrophobicContact CG2-CD1 4.46Å; T585-I747 HydrophobicContact CG2-CG1 4.39Å; V586-I747 HydrophobicContact CG2-CD1 4.23Å; L614-I747 HydrophobicContact CD1-CG2 4.04Å; L614-I747 HydrophobicContact CD2-CG2 4.25Å; I620-I747 HydrophobicContact CD1-CG1 4.19Å; P744-I747 WeakPolarHBondContact O-CB 3.48Å; P744-I747 PolarHBondContact O-N 2.83Å; S745-I747 VanDerWaalsContact C-N 3.25Å; S745-I747 PolarHBondContact O-N 3.33Å; I747-P749 VanDerWaalsContact C-CD 3.44Å; I747-L750 HydrophobicContact CG2-CD1 4.5Å; I747-L750 VanDerWaalsContact O-CB 3.26Å; I747-L750 WeakPolarHBondContact O-CB 3.35Å; I747-L750 PolarHBondContact O-N 3.27Å
748	V	95.8	Very high	84.4	Confident	19 Å²	19	80.1 Å²	80.1	12%	0.115	38%	0.381	C	S	.	.	H	α-helix	trans	-52.6	-39.1	-174.5	177.4	0	0	0	0	115	D617 S745 L750 M751 R752	D617-V748 VanDerWaalsContact C-CG2 3.45Å; D617-V748 VanDerWaalsContact O-CG2 3.27Å; D617-V748 WeakPolarHBondContact O-CG2 3.4Å; S745-V748 PolarHBondContact O-N 3.26Å; V748-L750 VanDerWaalsContact C-N 3.28Å; V748-L750 PolarHBondContact O-N 3.42Å; V748-M751 HydrophobicContact CB-CE 4.24Å; V748-M751 HydrophobicContact CG2-CE 3.88Å; V748-M751 PolarHBondContact O-N 3.47Å; V748-R752 HydrophobicContact CG1-CG 4.45Å; V748-R752 WeakPolarHBondContact O-CG 3.28Å; V748-R752 PolarHBondContact O-N 3.24Å
749	P	94.2	Very high	83.7	Confident	59 Å²	59	83.9 Å²	83.9	38%	0.383	40%	0.399	S	S	.	.	H	α-helix	trans	-57.8	-36.2	174.2	-26.9	36	0	0	0	113.9	S745 I747 R752 H753	S745-P749 VanDerWaalsContact O-CD 3.31Å; S745-P749 WeakPolarHBondContact O-CD 3.25Å; I747-P749 VanDerWaalsContact C-CD 3.44Å; P749-R752 PolarHBondContact O-N 2.83Å; P749-H753 PolarHBondContact O-CD2 3.31Å; P749-H753 PolarHBondContact O-N 3.39Å
750	L	92.4	Very high	82.9	Confident	8 Å²	8	78.7 Å²	78.7	4%	0.042	38%	0.379	C	S	.	.	H	α-helix	trans	-64	-46.6	-178.6	-56.3	173.3	0	0	0	110.9	I572 T576 M578 Q582 I747 V748 R752 H753 Y754	I572-L750 HydrophobicContact CD1-CB 3.83Å; I572-L750 HydrophobicContact CG1-CB 4.14Å; I572-L750 HydrophobicContact CG2-CB 3.86Å; I572-L750 HydrophobicContact CG2-CD1 3.97Å; I572-L750 HydrophobicContact CG2-CG 4.35Å; T576-L750 HydrophobicContact CG2-CD2 3.68Å; M578-L750 HydrophobicContact CE-CD1 4.12Å; M578-L750 HydrophobicContact CG-CD1 4.1Å; Q582-L750 HydrophobicContact CB-CD1 4.38Å; Q582-L750 HydrophobicContact CG-CD1 4.24Å; I747-L750 HydrophobicContact CG2-CD1 4.5Å; I747-L750 VanDerWaalsContact O-CB 3.26Å; I747-L750 WeakPolarHBondContact O-CB 3.35Å; I747-L750 PolarHBondContact O-N 3.27Å; V748-L750 VanDerWaalsContact C-N 3.28Å; V748-L750 PolarHBondContact O-N 3.42Å; L750-R752 VanDerWaalsContact C-N 3.33Å; L750-R752 PolarHBondContact O-N 3.11Å; L750-H753 PolarHBondContact O-N 2.73Å; L750-Y754 PolarHBondContact O-N 3.09Å
751	M	89.4	Confident	82	Confident	12 Å²	12	78.5 Å²	78.5	6%	0.059	38%	0.376	C	S	.	.	H	α-helix	trans	-62.7	-37.9	176.6	-61.5	-174.7	-70.3	0	0	112.3	G566 I572 L614 T615 V748 Y754 R755	G566-M751 WeakPolarHBondContact CA-SD 3.45Å; I572-M751 HydrophobicContact CD1-CG 3.95Å; L614-M751 HydrophobicContact CB-SD 3.86Å; L614-M751 HydrophobicContact CD1-CG 4.23Å; L614-M751 HydrophobicContact CD1-SD 4.15Å; T615-M751 VanDerWaalsContact O-CE 3.32Å; T615-M751 WeakPolarHBondContact O-CE 3.32Å; V748-M751 HydrophobicContact CB-CE 4.24Å; V748-M751 HydrophobicContact CG2-CE 3.88Å; V748-M751 PolarHBondContact O-N 3.47Å; M751-Y754 PolarHBondContact O-N 3.15Å; M751-R755 PolarHBondContact O-N 3.46Å; M751-R755 VanDerWaalsContact O-N 3.11Å
752	R	77.5	Confident	81	Confident	161 Å²	161	80.9 Å²	80.9	61%	0.608	38%	0.381	S	S	*	.	H	α-helix	trans	-70.6	-36.9	178.3	-69	-179.5	-175.7	-174.7	2.5	112.7	V748 P749 L750 Y754 R755 H756	V748-R752 HydrophobicContact CG1-CG 4.45Å; V748-R752 WeakPolarHBondContact O-CG 3.28Å; V748-R752 PolarHBondContact O-N 3.24Å; P749-R752 PolarHBondContact O-N 2.83Å; L750-R752 VanDerWaalsContact C-N 3.33Å; L750-R752 PolarHBondContact O-N 3.11Å; R752-Y754 VanDerWaalsContact C-N 3.26Å; R752-Y754 PolarHBondContact O-N 2.76Å; R752-R755 PolarHBondContact O-N 2.85Å; R752-H756 PolarHBondContact O-CD2 2.9Å; R752-H756 PolarHBondContact O-N 2.62Å
753	H	64.5	Low	79.9	Confident	122 Å²	122	85.3 Å²	85.3	57%	0.565	40%	0.397	S	S	*	.	H	α-helix	trans	-67.2	-26.9	175.6	-79.5	-57.9	0	0	0	113.3	P749 L750	P749-H753 PolarHBondContact O-CD2 3.31Å; P749-H753 PolarHBondContact O-N 3.39Å; L750-H753 PolarHBondContact O-N 2.73Å
754	Y	57.4	Low	78.6	Confident	100 Å²	100	85.9 Å²	85.9	39%	0.392	39%	0.389	S	S	.	.	H	α-helix	trans	-72.9	-54.2	169.9	179.8	-103.5	0	0	0	111.9	D571 H575 L750 M751 R752 H756 R757	D571-Y754 HydrophobicContact CB-CE1 4.34Å; D571-Y754 HydrophobicContact CB-CE2 4.2Å; H575-Y754 AromaticContact CE1-CE2 3.95Å; H575-Y754 AromaticContact ND1-CD2 3.94Å; H575-Y754 AromaticContact ND1-CE2 3.79Å; L750-Y754 PolarHBondContact O-N 3.09Å; M751-Y754 PolarHBondContact O-N 3.15Å; R752-Y754 VanDerWaalsContact C-N 3.26Å; R752-Y754 PolarHBondContact O-N 2.76Å; Y754-H756 PolarHBondContact O-N 2.87Å; Y754-R757 PolarHBondContact O-N 3.39Å; Y754-R757 VanDerWaalsContact O-N 3.13Å
755	R	58.5	Low	77.2	Confident	154 Å²	154	88.5 Å²	88.5	58%	0.581	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-4.1	-177.5	-71.3	-175	179	-172	1.7	116.2	E565 M751 R752	E565-R755 PolarHBondContact O-NH2 3.43Å; M751-R755 PolarHBondContact O-N 3.46Å; M751-R755 VanDerWaalsContact O-N 3.11Å; R752-R755 PolarHBondContact O-N 2.85Å
756	H	44.5	Very low	75.5	Confident	161 Å²	161	89.5 Å²	89.5	75%	0.745	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.9	17.3	178.4	-71.8	-48.6	0	0	0	113.6	R752 Y754	R752-H756 PolarHBondContact O-CD2 2.9Å; R752-H756 PolarHBondContact O-N 2.62Å; Y754-H756 PolarHBondContact O-N 2.87Å
757	R	38.2	Very low	73.6	Confident	264 Å²	264	96.5 Å²	96.5	100%	0.996	41%	0.408	S	S	*	.			trans	-124.6	0	173.8	-72.9	-176.8	170.3	179	-0.6	111.5	Y754	Y754-R757 PolarHBondContact O-N 3.39Å; Y754-R757 VanDerWaalsContact O-N 3.13Å

Retrieved 757 of 757 residues in 1027.3 ms (Link to these results)

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